%chk=mmp2_full_r.gjf.chk %mem=3700MB %nprocshared=4 #P ONIOM(B3LYP/6-31G(d):AMBER=HardFirst) geom=connectivity nosymm iop(2/15=3) test ONIOM inputfile generated by pdb2oniom from PDB file mmp2_full_r.pdb. No connectivity generated. Please use GaussView read mmp2_full_r.gjf, and generate connectivity information. 0 1 0 1 0 1 N-N3-0.096600 -1 41.5070000 23.2020000 52.2750000 L H-H-0.216500 -1 40.5600000 22.8410000 52.2490000 L H-H-0.216500 -1 41.6870000 23.6530000 51.3840000 L H-H-0.216500 -1 41.5590000 23.9020000 53.0060000 L C-CT--0.001500 -1 42.4900000 22.1150000 52.5110000 L H-HP-0.118000 -1 42.3770000 21.7930000 53.5460000 L C-CT-0.021200 -1 42.2070000 20.8970000 51.6050000 L H-HC-0.028300 -1 42.8750000 20.0870000 51.8970000 L H-HC-0.028300 -1 41.1860000 20.5620000 51.7900000 L C-CT--0.004800 -1 42.3840000 21.1510000 50.0960000 L H-HC-0.012100 -1 41.6760000 21.9060000 49.7620000 L H-HC-0.012100 -1 43.3920000 21.5200000 49.9160000 L C-CT--0.060800 -1 42.1800000 19.8860000 49.2490000 L H-HC-0.063300 -1 42.5840000 20.0650000 48.2500000 L H-HC-0.063300 -1 42.7340000 19.0640000 49.6980000 L C-CT--0.018100 -1 40.6980000 19.5150000 49.1210000 L H-HP-0.117100 -1 40.2480000 19.4620000 50.1160000 L H-HP-0.117100 -1 40.1900000 20.3090000 48.5650000 L N-N3--0.376400 -1 40.5180000 18.2200000 48.4260000 L H-H-0.338200 -1 40.8830000 17.4470000 48.9790000 L H-H-0.338200 -1 39.5340000 18.0430000 48.2460000 L H-H-0.338200 -1 41.0080000 18.2010000 47.5300000 L C-C-0.721400 -1 43.9210000 22.6480000 52.3620000 L O-O--0.601300 -1 44.0900000 23.6070000 51.6120000 L N-N--0.088116 -1 44.9360000 22.0760000 53.0430000 L C-CT--0.011906 -1 44.8260000 20.9730000 53.9910000 L H-H1-0.043951 -1 44.4230000 20.0750000 53.5240000 L H-H1-0.043950 -1 44.1980000 21.2780000 54.8310000 L C-CT-0.013059 -1 46.2470000 20.7070000 54.4890000 L H-HC-0.019574 -1 46.7500000 20.0100000 53.8190000 L H-HC-0.019574 -1 46.2540000 20.3330000 55.5130000 L C-CT--0.003351 -1 46.9100000 22.0760000 54.3790000 L H-HC-0.019352 -1 47.9960000 21.9980000 54.3050000 L H-HC-0.019352 -1 46.6340000 22.6820000 55.2440000 L C-CT--0.034577 -1 46.2750000 22.6700000 53.1180000 L H-H1-0.059977 -1 46.1880000 23.7490000 53.2510000 L C-C-0.333720 -1 47.1550000 22.4320000 51.8830000 L O-O--0.434559 -1 48.1620000 23.1160000 51.7360000 L N-N--0.435875 -1 46.7970000 21.5030000 50.9870000 L H-H-0.251302 -1 45.9690000 20.9490000 51.1500000 L C-CT--0.038773 -1 47.5190000 21.2520000 49.7290000 L H-H1-0.129478 -1 48.0720000 22.1500000 49.4510000 L C-CT--0.108273 -1 48.5180000 20.0820000 49.8920000 L H-HC-0.045214 -1 47.9570000 19.1540000 50.0190000 L H-HC-0.045214 -1 49.1050000 20.0000000 48.9760000 L C-CT-0.033341 -1 49.4800000 20.2340000 51.0830000 L H-HC-0.010208 -1 49.9730000 21.2040000 51.0220000 L H-HC-0.010208 -1 48.8980000 20.1900000 52.0040000 L C-CT--0.047841 -1 50.5570000 19.1380000 51.1310000 L H-HC-0.070715 -1 50.1430000 18.1940000 50.7750000 L H-HC-0.070715 -1 51.3860000 19.4190000 50.4800000 L C-CT--0.069974 -1 51.0390000 18.9620000 52.5790000 L H-HP-0.119522 -1 51.4190000 19.9150000 52.9580000 L H-HP-0.119522 -1 50.1830000 18.6790000 53.1980000 L N-N3--0.250358 -1 52.0830000 17.9210000 52.7120000 L H-H-0.294561 -1 52.3370000 17.7900000 53.6900000 L H-H-0.294561 -1 51.7640000 17.0160000 52.3710000 L H-H-0.294561 -1 52.9160000 18.1550000 52.1960000 L C-C-0.725129 -1 46.5250000 20.9410000 48.5980000 L O-O--0.563157 -1 45.4790000 20.3360000 48.8440000 L N-N--0.427579 0 46.8480000 21.3180000 47.3580000 L H-H-0.241716 0 47.7130000 21.8170000 47.2110000 L C-CT--0.020082 0 46.0440000 20.9590000 46.1810000 L H-H1-0.106629 0 45.0110000 21.2730000 46.3510000 L C-CT--0.098364 0 46.5770000 21.7190000 44.9530000 L H-HC-0.065424 0 47.6300000 21.4760000 44.8040000 L H-HC-0.065424 0 46.0350000 21.3800000 44.0700000 L C-C*--0.099797 0 46.4320000 23.2100000 45.0280000 L C-CW--0.174053 0 47.3800000 24.0750000 45.4560000 L H-H4-0.170633 0 48.3740000 23.7990000 45.7860000 L N-NA--0.298433 0 46.8710000 25.3590000 45.4520000 L H-H-0.322375 0 47.3530000 26.1690000 45.8390000 L C-CN-0.141523 0 45.5690000 25.3910000 45.0130000 L C-CA--0.210701 0 44.6360000 26.4280000 44.8700000 L H-HA-0.125512 0 44.9150000 27.4400000 45.1230000 L C-CA--0.133022 0 43.3470000 26.1280000 44.3990000 L H-HA-0.119467 0 42.6140000 26.9140000 44.2780000 L C-CA--0.164054 0 43.0190000 24.8010000 44.0710000 L H-HA-0.119250 0 42.0330000 24.5710000 43.6900000 L C-CA--0.153992 0 43.9630000 23.7680000 44.2260000 L H-HA-0.123084 0 43.6920000 22.7570000 43.9690000 L C-CB-0.089641 0 45.2620000 24.0310000 44.7120000 L C-C-0.584129 0 46.0330000 19.4340000 45.9480000 L O-O--0.494730 0 47.0090000 18.7430000 46.2490000 L N-N--0.558201 -1 44.9570000 18.9040000 45.3660000 L H-H-0.319676 -1 44.1810000 19.5300000 45.1540000 L C-CT-0.007225 -1 44.8140000 17.4800000 44.9990000 L H-H1-0.082375 -1 45.1090000 16.8610000 45.8470000 L C-CT--0.047555 -1 43.3370000 17.1790000 44.6860000 L H-HC--0.014836 -1 43.0330000 17.7650000 43.8160000 L H-HC--0.014836 -1 43.2390000 16.1240000 44.4280000 L C-C-0.745168 -1 42.3940000 17.4760000 45.8560000 L O-O2--0.730385 -1 42.5950000 16.9180000 46.9600000 L O-O2--0.730385 -1 41.4430000 18.2760000 45.6760000 L C-C-0.443199 -1 45.6900000 17.0710000 43.7930000 L O-O--0.501445 -1 45.9220000 15.8840000 43.5500000 L N-N--0.435875 -1 46.1870000 18.0630000 43.0460000 L H-H-0.251302 -1 45.9940000 19.0010000 43.3640000 L C-CT--0.038773 -1 46.7750000 17.9330000 41.7070000 L H-H1-0.129478 -1 47.0570000 16.8980000 41.5320000 L C-CT--0.108273 -1 45.6880000 18.3060000 40.6810000 L H-HC-0.045214 -1 46.0760000 18.1380000 39.6770000 L H-HC-0.045214 -1 44.8340000 17.6400000 40.8170000 L C-CT-0.033341 -1 45.2120000 19.7660000 40.7970000 L H-HC-0.010208 -1 44.7420000 19.9260000 41.7690000 L H-HC-0.010208 -1 46.0610000 20.4430000 40.7010000 L C-CT--0.047841 -1 44.1950000 20.0770000 39.6980000 L H-HC-0.070715 -1 44.6640000 19.9410000 38.7210000 L H-HC-0.070715 -1 43.3570000 19.3870000 39.7970000 L C-CT--0.069974 -1 43.6850000 21.5140000 39.8310000 L H-HP-0.119522 -1 43.1560000 21.6190000 40.7810000 L H-HP-0.119522 -1 44.5390000 22.1970000 39.8420000 L N-N3--0.250358 -1 42.7850000 21.8820000 38.7150000 L H-H-0.294561 -1 42.3570000 22.7890000 38.9040000 L H-H-0.294561 -1 43.3080000 21.9800000 37.8520000 L H-H-0.294561 -1 42.0460000 21.2000000 38.5800000 L C-C-0.725129 -1 48.0550000 18.7700000 41.5260000 L O-O--0.563157 -1 48.3560000 19.6390000 42.3490000 L N-N--0.430106 -1 48.7850000 18.5320000 40.4320000 L H-H-0.254543 -1 48.4660000 17.8070000 39.7980000 L C-CT-0.044609 -1 50.1190000 19.0940000 40.1820000 L H-H1-0.059601 -1 50.4690000 19.5730000 41.0960000 L C-CT--0.093650 -1 51.1120000 17.9540000 39.8720000 L H-HC-0.043321 -1 50.7600000 17.3820000 39.0120000 L H-HC-0.043321 -1 52.0730000 18.3930000 39.6080000 L C-C-0.583519 -1 51.3650000 16.9940000 41.0380000 L O-O--0.526813 -1 50.6780000 16.9920000 42.0530000 L N-N--0.781735 -1 52.3870000 16.1650000 40.9450000 L H-H-0.355079 -1 52.5460000 15.5020000 41.6870000 L H-H-0.355079 -1 53.0060000 16.1700000 40.1440000 L C-C-0.617141 -1 50.1300000 20.1900000 39.0900000 L O-O--0.523909 -1 51.1550000 20.8440000 38.8880000 L N-N--0.387353 -1 49.0060000 20.4580000 38.4190000 L H-H-0.300605 -1 48.2200000 19.8270000 38.5330000 L C-CT-0.037470 -1 48.8170000 21.6310000 37.5550000 L H-H1-0.152255 -1 49.7180000 22.2470000 37.5370000 L C-CT--0.032112 -1 48.4830000 21.2120000 36.1190000 L H-HC-0.030995 -1 47.5000000 20.7340000 36.1120000 L H-HC-0.030995 -1 48.4300000 22.1290000 35.5330000 L C-CT--0.020264 -1 49.4750000 20.2770000 35.4170000 L H-HC-0.030791 -1 50.4710000 20.7210000 35.4390000 L H-HC-0.030791 -1 49.5120000 19.3200000 35.9370000 L C-C-0.667812 -1 49.0800000 20.0270000 33.9560000 L O-O--0.628483 -1 48.1090000 20.5680000 33.4230000 L N-N--0.883393 -1 49.8180000 19.2020000 33.2530000 L H-H-0.408312 -1 49.6360000 19.0720000 32.2640000 L H-H-0.408312 -1 50.5780000 18.6980000 33.7050000 L C-C-0.418577 -1 47.6620000 22.4910000 38.0780000 L O-O--0.565310 -1 46.6840000 21.9650000 38.6050000 L N-N--0.451047 -1 47.7100000 23.8060000 37.8590000 L H-H-0.328831 -1 48.5140000 24.1910000 37.3620000 L C-CT--0.101874 -1 46.7500000 24.7850000 38.4030000 L H-H1-0.174193 -1 45.8730000 24.2780000 38.8090000 L C-CT-0.062238 -1 47.4450000 25.5750000 39.5450000 L H-HC-0.061662 -1 48.3130000 26.0630000 39.1040000 L C-CT--0.129989 -1 46.5500000 26.6820000 40.1310000 L H-HC-0.030227 -1 47.0500000 27.1580000 40.9750000 L H-HC-0.030227 -1 46.3510000 27.4510000 39.3850000 L H-HC-0.030227 -1 45.6070000 26.2600000 40.4750000 L C-CT-0.022230 -1 47.9850000 24.6860000 40.6950000 L H-HC-0.011551 -1 48.7030000 23.9700000 40.2960000 L H-HC-0.011551 -1 48.5360000 25.3180000 41.3920000 L C-CT--0.101251 -1 46.9250000 23.9150000 41.4950000 L H-HC-0.023792 -1 46.3320000 23.2800000 40.8410000 L H-HC-0.023792 -1 47.4240000 23.2860000 42.2330000 L H-HC-0.023792 -1 46.2670000 24.6090000 42.0180000 L C-C-0.569383 -1 46.2610000 25.7120000 37.2760000 L O-O--0.619535 -1 47.0190000 26.0120000 36.3470000 L N-N--0.245382 -1 45.0120000 26.1810000 37.3580000 L H-H-0.255339 -1 44.4440000 25.8860000 38.1460000 L C-CT--0.271249 -1 44.3790000 27.0790000 36.3760000 L H-H1-0.163757 -1 45.0830000 27.2950000 35.5720000 L C-CT-0.237868 -1 43.1330000 26.4450000 35.7400000 L H-H1-0.044688 -1 42.6620000 27.1870000 35.0940000 L C-CT--0.176489 -1 43.4940000 25.2340000 34.8820000 L H-HC-0.060019 -1 42.6040000 24.8650000 34.3720000 L H-HC-0.060019 -1 44.2280000 25.5230000 34.1290000 L H-HC-0.060019 -1 43.9060000 24.4390000 35.5000000 L O-OH--0.601931 -1 42.1940000 26.0490000 36.7220000 L H-HO-0.405484 -1 42.6500000 25.4820000 37.3780000 L C-C-0.559878 -1 44.0210000 28.4100000 37.0140000 L O-O--0.552020 -1 43.6490000 28.4640000 38.1860000 L N-N--0.487560 -1 44.0840000 29.4840000 36.2290000 L H-H-0.263521 -1 44.4230000 29.3820000 35.2770000 L C-CT-0.009614 -1 43.6790000 30.8200000 36.6790000 L H-H1-0.095501 -1 43.0340000 30.6890000 37.5420000 L C-CT--0.051853 -1 44.9030000 31.6160000 37.1580000 L H-HC-0.019145 -1 44.5490000 32.4650000 37.7440000 L H-HC-0.019145 -1 45.4830000 30.9920000 37.8390000 L C-CA-0.112601 -1 45.8310000 32.1460000 36.0800000 L C-CA--0.183461 -1 46.8770000 31.3410000 35.5870000 L H-HA-0.132715 -1 46.9810000 30.3230000 35.9330000 L C-CA--0.181823 -1 47.8090000 31.8730000 34.6750000 L H-HA-0.137303 -1 48.6340000 31.2730000 34.3200000 L C-C-0.206277 -1 47.6980000 33.2160000 34.2560000 L O-OH--0.421233 -1 48.6420000 33.7500000 33.4370000 L H-HO-0.329691 -1 48.5480000 34.7110000 33.3480000 L C-CA--0.181823 -1 46.6310000 34.0150000 34.7260000 L H-HA-0.137303 -1 46.5470000 35.0430000 34.4070000 L C-CA--0.183461 -1 45.7000000 33.4770000 35.6350000 L H-HA-0.132715 -1 44.9050000 34.1000000 36.0170000 L C-C-0.622290 -1 42.8480000 31.5850000 35.6400000 L O-O--0.526607 -1 42.8810000 31.2760000 34.4470000 L N-N--0.300879 -1 42.0770000 32.5800000 36.0910000 L H-H-0.233693 -1 42.0760000 32.7690000 37.0900000 L C-CT--0.131381 -1 41.2110000 33.3920000 35.2240000 L H-H1-0.053266 -1 41.6970000 33.4970000 34.2560000 L C-CT-0.036707 -1 39.8740000 32.6540000 35.0290000 L H-HC-0.028012 -1 40.0800000 31.6820000 34.5830000 L H-HC-0.028012 -1 39.4110000 32.4970000 36.0010000 L C-CT-0.012454 -1 38.8950000 33.4040000 34.1200000 L H-HC-0.002964 -1 38.6010000 34.3400000 34.5970000 L H-HC-0.002964 -1 39.3880000 33.6290000 33.1760000 L C-CT-0.126329 -1 37.6310000 32.5950000 33.8220000 L H-H1-0.068148 -1 37.9080000 31.6560000 33.3400000 L H-H1-0.068148 -1 37.1110000 32.3780000 34.7570000 L N-N2--0.464890 -1 36.7560000 33.3630000 32.9280000 L H-H-0.326274 -1 37.1300000 34.2490000 32.5870000 L C-CA-0.565543 -1 35.5370000 33.0380000 32.5290000 L N-N2--0.685774 -1 34.9160000 31.9540000 32.9380000 L H-H-0.391052 -1 35.3410000 31.3170000 33.6020000 L H-H-0.391052 -1 33.9810000 31.7880000 32.5860000 L N-N2--0.685774 -1 34.8970000 33.8160000 31.6890000 L H-H-0.391052 -1 35.3420000 34.6450000 31.3190000 L H-H-0.391052 -1 33.9800000 33.5410000 31.3670000 L C-C-0.730308 -1 40.9950000 34.7870000 35.8120000 L O-O--0.578332 -1 40.8170000 34.9150000 37.0210000 L N-N--0.451047 -1 40.9710000 35.8290000 34.9770000 L H-H-0.328831 -1 41.0720000 35.6390000 33.9810000 L C-CT--0.101874 -1 40.8390000 37.2330000 35.4250000 L H-H1-0.174193 -1 40.8620000 37.2630000 36.5140000 L C-CT-0.062238 -1 42.0170000 38.1080000 34.9150000 L H-HC-0.061662 -1 41.8860000 38.2690000 33.8430000 L C-CT--0.129989 -1 41.9570000 39.4760000 35.6280000 L H-HC-0.030227 -1 42.7590000 40.1250000 35.2830000 L H-HC-0.030227 -1 41.0190000 39.9830000 35.4070000 L H-HC-0.030227 -1 42.0500000 39.3460000 36.7070000 L C-CT-0.022230 -1 43.4010000 37.4410000 35.1310000 L H-HC-0.011551 -1 43.5640000 37.2760000 36.1950000 L H-HC-0.011551 -1 43.4160000 36.4710000 34.6340000 L C-CT--0.101251 -1 44.5920000 38.2330000 34.5700000 L H-HC-0.023792 -1 45.4930000 37.6210000 34.6330000 L H-HC-0.023792 -1 44.4120000 38.4890000 33.5260000 L H-HC-0.023792 -1 44.7560000 39.1430000 35.1470000 L C-C-0.569383 -1 39.4800000 37.8030000 34.9930000 L O-O--0.619535 -1 39.0920000 37.6570000 33.8350000 L N-N--0.451047 -1 38.7650000 38.4500000 35.9210000 L H-H-0.328831 -1 39.1360000 38.4600000 36.8700000 L C-CT--0.101874 -1 37.4190000 39.0310000 35.7060000 L H-H1-0.174193 -1 37.2880000 39.1920000 34.6340000 L C-CT-0.062238 -1 36.3080000 38.0460000 36.1640000 L H-HC-0.061662 -1 35.3470000 38.5360000 35.9960000 L C-CT--0.129989 -1 36.2940000 36.7710000 35.3010000 L H-HC-0.030227 -1 37.1770000 36.1640000 35.4990000 L H-HC-0.030227 -1 35.4030000 36.1810000 35.5140000 L H-HC-0.030227 -1 36.2720000 37.0430000 34.2450000 L C-CT-0.022230 -1 36.4240000 37.7120000 37.6690000 L H-HC-0.011551 -1 37.2820000 37.0600000 37.8370000 L H-HC-0.011551 -1 36.5860000 38.6330000 38.2250000 L C-CT--0.101251 -1 35.1730000 37.0440000 38.2510000 L H-HC-0.023792 -1 34.3040000 37.6850000 38.1010000 L H-HC-0.023792 -1 34.9980000 36.0810000 37.7750000 L H-HC-0.023792 -1 35.3140000 36.8840000 39.3200000 L C-C-0.569383 -1 37.2510000 40.4340000 36.3350000 L O-O--0.619535 -1 36.1320000 40.8550000 36.6540000 L N-N--0.374282 -1 38.3500000 41.1580000 36.5760000 L H-H-0.253981 -1 39.2450000 40.7760000 36.3050000 L C-CT--0.128844 -1 38.3190000 42.5600000 37.0140000 L H-HC-0.088859 -1 37.7420000 43.1290000 36.2890000 L H-HC-0.088859 -1 37.7950000 42.6480000 37.9650000 L C-C-0.580584 -1 39.6850000 43.2250000 37.1500000 L O-O--0.509157 -1 40.6790000 42.5540000 37.4190000 L N-N--0.487560 -1 39.7070000 44.5540000 37.0130000 L H-H-0.263521 -1 38.8110000 45.0100000 36.8800000 L C-CT-0.009614 -1 40.9110000 45.4070000 36.9520000 L H-H1-0.095501 -1 41.7450000 44.8910000 37.4290000 L C-CT--0.051853 -1 41.2820000 45.6440000 35.4730000 L H-HC-0.019145 -1 40.4700000 46.1910000 34.9910000 L H-HC-0.019145 -1 42.1690000 46.2780000 35.4250000 L C-CA-0.112601 -1 41.5720000 44.3880000 34.6680000 L C-CA--0.183461 -1 42.8710000 43.8420000 34.6420000 L H-HA-0.132715 -1 43.6670000 44.3170000 35.1970000 L C-CA--0.181823 -1 43.1370000 42.6780000 33.8940000 L H-HA-0.137303 -1 44.1330000 42.2580000 33.8710000 L C-C-0.206277 -1 42.0950000 42.0490000 33.1740000 L O-OH--0.421233 -1 42.3360000 40.9110000 32.4680000 L H-HO-0.329691 -1 41.5360000 40.5680000 32.0630000 L C-CA--0.181823 -1 40.7950000 42.5980000 33.1970000 L H-HA-0.137303 -1 39.9910000 42.1190000 32.6570000 L C-CA--0.183461 -1 40.5400000 43.7660000 33.9380000 L H-HA-0.132715 -1 39.5420000 44.1740000 33.9670000 L C-C-0.622290 -1 40.7090000 46.7500000 37.7000000 L O-O--0.526607 -1 39.6590000 46.9710000 38.3050000 L N-N--0.245382 -1 41.6930000 47.6610000 37.6550000 L H-H-0.255339 -1 42.5010000 47.4640000 37.0800000 L C-CT--0.271249 -1 41.6810000 48.9770000 38.3270000 L H-H1-0.163757 -1 40.7030000 49.1380000 38.7780000 L C-CT-0.237868 -1 42.7090000 48.9740000 39.4710000 L H-H1-0.044688 -1 42.4570000 48.1710000 40.1650000 L C-CT--0.176489 -1 44.1590000 48.7820000 39.0160000 L H-HC-0.060019 -1 44.8090000 48.7760000 39.8900000 L H-HC-0.060019 -1 44.2730000 47.8320000 38.4960000 L H-HC-0.060019 -1 44.4630000 49.5940000 38.3550000 L O-OH--0.601931 -1 42.6420000 50.1910000 40.1640000 L H-HO-0.405484 -1 41.8070000 50.2030000 40.6820000 L C-C-0.559878 -1 41.9400000 50.0940000 37.2990000 L O-O--0.552020 -1 42.5620000 49.8000000 36.2760000 L N-N--0.088116 -1 41.4630000 51.3430000 37.4990000 L C-CT--0.011906 -1 40.5480000 51.7840000 38.5380000 L H-H1-0.043951 -1 41.1270000 52.1080000 39.4020000 L H-H1-0.043950 -1 39.8350000 51.0170000 38.8300000 L C-CT-0.013059 -1 39.8180000 52.9850000 37.9490000 L H-HC-0.019574 -1 39.4420000 53.6460000 38.7300000 L H-HC-0.019574 -1 39.0110000 52.6510000 37.2970000 L C-CT--0.003351 -1 40.9100000 53.6460000 37.1170000 L H-HC-0.019352 -1 41.4950000 54.3030000 37.7620000 L H-HC-0.019352 -1 40.4900000 54.2130000 36.2870000 L C-CT--0.034577 -1 41.7750000 52.4750000 36.6240000 L H-H1-0.059977 -1 41.4960000 52.2220000 35.6050000 L C-C-0.333720 -1 43.2510000 52.8840000 36.6410000 L O-O--0.434559 -1 43.7240000 53.4730000 35.6700000 L N-N--0.558201 -1 43.9690000 52.6200000 37.7390000 L H-H-0.319676 -1 43.5280000 52.1320000 38.5110000 L C-CT-0.007225 -1 45.2880000 53.2130000 37.9800000 L H-H1-0.082375 -1 45.2140000 54.2740000 37.7490000 L C-CT--0.047555 -1 45.6680000 53.0760000 39.4650000 L H-HC--0.014836 -1 45.6460000 52.0180000 39.7380000 L H-HC--0.014836 -1 46.6930000 53.4290000 39.5950000 L C-C-0.745168 -1 44.7850000 53.8700000 40.4350000 L O-O2--0.730385 -1 44.2490000 54.9420000 40.0620000 L O-O2--0.730385 -1 44.6680000 53.4280000 41.5990000 L C-C-0.443199 -1 46.4170000 52.6260000 37.1110000 L O-O--0.501445 -1 47.4350000 53.2990000 36.9070000 L N-N--0.355153 -1 46.2570000 51.3940000 36.6070000 L H-H-0.262417 -1 45.3550000 50.9500000 36.7310000 L C-CT--0.101497 -1 47.3360000 50.5900000 36.0230000 L H-H1-0.136951 -1 48.0710000 51.2630000 35.5860000 L C-CT--0.144399 -1 47.9960000 49.7910000 37.1700000 L H-HC-0.052533 -1 48.3130000 50.4910000 37.9450000 L H-HC-0.052533 -1 47.2380000 49.1370000 37.6070000 L C-CT-0.191982 -1 49.2090000 48.9260000 36.7670000 L H-HC-0.000825 -1 48.9060000 48.2100000 36.0020000 L C-CT--0.123036 -1 50.3650000 49.7690000 36.2100000 L H-HC-0.022376 -1 50.0670000 50.2570000 35.2820000 L H-HC-0.022376 -1 50.6560000 50.5260000 36.9390000 L H-HC-0.022376 -1 51.2220000 49.1280000 35.9970000 L C-CT--0.123036 -1 49.7030000 48.1380000 37.9900000 L H-HC-0.022376 -1 48.8970000 47.5160000 38.3800000 L H-HC-0.022376 -1 50.5340000 47.4910000 37.7040000 L H-HC-0.022376 -1 50.0360000 48.8220000 38.7720000 L C-C-0.573471 -1 46.8330000 49.6610000 34.9080000 L O-O--0.557847 -1 45.8920000 48.8930000 35.0920000 L N-N--0.558201 -1 47.5170000 49.7160000 33.7640000 L H-H-0.319676 -1 48.1930000 50.4690000 33.6840000 L C-CT-0.007225 -1 47.2500000 48.9530000 32.5400000 L H-H1-0.082375 -1 46.4170000 49.4360000 32.0310000 L C-CT--0.047555 -1 48.4720000 49.1020000 31.6240000 L H-HC--0.014836 -1 48.5180000 50.1240000 31.2640000 L H-HC--0.014836 -1 49.3790000 48.9070000 32.1970000 L C-C-0.745168 -1 48.4350000 48.1740000 30.4140000 L O-O2--0.730385 -1 49.4780000 47.5480000 30.1250000 L O-O2--0.730385 -1 47.3760000 48.0950000 29.7480000 L C-C-0.443199 -1 46.9210000 47.4570000 32.7570000 L O-O--0.501445 -1 47.8090000 46.7010000 33.1670000 L N-N--0.088116 -1 45.7080000 46.9940000 32.3880000 L C-CT--0.011906 -1 44.5540000 47.8180000 32.0440000 L H-H1-0.043951 -1 44.7000000 48.2620000 31.0590000 L H-H1-0.043950 -1 44.3930000 48.6010000 32.7870000 L C-CT-0.013059 -1 43.3540000 46.8760000 32.0120000 L H-HC-0.019574 -1 42.6060000 47.2010000 31.2890000 L H-HC-0.019574 -1 42.9190000 46.8030000 33.0090000 L C-CT--0.003351 -1 43.9900000 45.5420000 31.6280000 L H-HC-0.019352 -1 44.1690000 45.5140000 30.5540000 L H-HC-0.019352 -1 43.3770000 44.6960000 31.9330000 L C-CT--0.034577 -1 45.3300000 45.5810000 32.3640000 L H-H1-0.059977 -1 45.1590000 45.2700000 33.3940000 L C-C-0.333720 -1 46.3470000 44.6210000 31.7250000 L O-O--0.434559 -1 46.5470000 43.5340000 32.2600000 L N-N--0.423392 -1 47.0270000 44.9950000 30.6300000 L H-H-0.306811 -1 46.8520000 45.9090000 30.2240000 L C-CT-0.031633 -1 48.0500000 44.1360000 30.0040000 L H-H1-0.065100 -1 47.6230000 43.1400000 29.8750000 L C-CT-0.074772 -1 48.3830000 44.6870000 28.6010000 L H-HC--0.003535 -1 47.4540000 44.8180000 28.0440000 L H-HC--0.003535 -1 48.8520000 45.6600000 28.7010000 L C-CT--0.033909 -1 49.3080000 43.7730000 27.7870000 L H-HC--0.004135 -1 50.2300000 43.6070000 28.3430000 L H-HC--0.004135 -1 48.8150000 42.8100000 27.6450000 L C-C-0.765188 -1 49.6910000 44.3500000 26.4210000 L O-O2--0.824035 -1 49.8980000 45.5800000 26.2890000 L O-O2--0.824035 -1 49.9310000 43.5490000 25.4850000 L C-C-0.469735 -1 49.3090000 43.9820000 30.8920000 L O-O--0.592528 -1 49.9300000 42.9150000 30.9220000 L N-N--0.245382 -1 49.6520000 45.0300000 31.6550000 L H-H-0.255339 -1 49.0910000 45.8660000 31.5440000 L C-CT--0.271249 -1 50.7440000 45.0790000 32.6470000 L H-H1-0.163757 -1 51.6000000 44.5270000 32.2590000 L C-CT-0.237868 -1 51.1650000 46.5420000 32.8600000 L H-H1-0.044688 -1 50.3130000 47.1240000 33.2150000 L C-CT--0.176489 -1 52.3100000 46.7210000 33.8520000 L H-HC-0.060019 -1 52.6520000 47.7560000 33.8440000 L H-HC-0.060019 -1 51.9650000 46.4870000 34.8590000 L H-HC-0.060019 -1 53.1380000 46.0650000 33.5880000 L O-OH--0.601931 -1 51.6100000 47.0630000 31.6250000 L H-HO-0.405484 -1 50.8230000 47.1810000 31.0490000 L C-C-0.559878 -1 50.3550000 44.4150000 33.9720000 L O-O--0.552020 -1 51.2080000 43.8040000 34.6150000 L N-N--0.450087 -1 49.0810000 44.4870000 34.3600000 L H-H-0.440048 -1 48.4750000 45.1100000 33.8300000 L C-CT--0.051858 -1 48.4900000 43.7210000 35.4760000 L H-H1--0.026204 -1 49.0810000 43.9160000 36.3730000 L C-CT-0.395217 -1 47.0360000 44.1850000 35.7430000 L H-HC--0.115672 -1 46.5160000 44.2380000 34.7900000 L C-CT--0.090132 -1 46.2310000 43.2360000 36.6460000 L H-HC--0.008985 -1 46.7770000 43.0390000 37.5670000 L H-HC--0.008985 -1 45.2650000 43.6790000 36.8900000 L H-HC--0.008985 -1 46.0460000 42.2970000 36.1250000 L C-CT--0.090132 -1 47.0130000 45.5930000 36.3630000 L H-HC--0.008985 -1 47.4900000 45.5810000 37.3410000 L H-HC--0.008985 -1 47.5410000 46.2970000 35.7240000 L H-HC--0.008985 -1 45.9830000 45.9340000 36.4720000 L C-C-0.447359 -1 48.5410000 42.2090000 35.1910000 L O-O--0.404629 -1 48.9550000 41.4310000 36.0480000 L N-N--0.558201 -1 48.1790000 41.7890000 33.9740000 L H-H-0.319676 -1 47.7890000 42.4640000 33.3220000 L C-CT-0.007225 -1 48.3060000 40.4030000 33.5110000 L H-H1-0.082375 -1 47.7320000 39.7570000 34.1760000 L C-CT--0.047555 -1 47.6820000 40.3220000 32.1060000 L H-HC--0.014836 -1 46.6170000 40.5480000 32.1780000 L H-HC--0.014836 -1 48.1390000 41.0750000 31.4640000 L C-C-0.745168 -1 47.8560000 38.9540000 31.4540000 L O-O2--0.730385 -1 48.7920000 38.7930000 30.6360000 L O-O2--0.730385 -1 47.0890000 38.0180000 31.7810000 L C-C-0.443199 -1 49.7700000 39.9090000 33.5310000 L O-O--0.501445 -1 50.0340000 38.7610000 33.8990000 L N-N--0.558201 -1 50.7170000 40.7890000 33.1890000 L H-H-0.319676 -1 50.4090000 41.7090000 32.8950000 L C-CT-0.007225 -1 52.1610000 40.5190000 33.1940000 L H-H1-0.082375 -1 52.3360000 39.6000000 32.6330000 L C-CT--0.047555 -1 52.8740000 41.6780000 32.4770000 L H-HC--0.014836 -1 52.3540000 41.9110000 31.5490000 L H-HC--0.014836 -1 52.8500000 42.5680000 33.1050000 L C-C-0.745168 -1 54.3190000 41.3480000 32.1300000 L O-O2--0.730385 -1 55.2380000 42.0530000 32.6170000 L O-O2--0.730385 -1 54.5350000 40.4170000 31.3170000 L C-C-0.443199 -1 52.7430000 40.3310000 34.6080000 L O-O--0.501445 -1 53.6920000 39.5610000 34.7870000 L N-N--0.404773 -1 52.1650000 41.0100000 35.6090000 L H-H-0.294276 -1 51.3970000 41.6300000 35.3670000 L C-CT--0.027733 -1 52.5280000 40.8770000 37.0210000 L H-H1-0.120802 -1 53.6090000 40.9870000 37.1200000 L C-CT--0.229951 -1 51.8420000 42.0020000 37.8130000 L H-HC-0.077428 -1 50.7600000 41.9470000 37.6990000 L H-HC-0.077428 -1 52.0700000 41.9030000 38.8730000 L H-HC-0.077428 -1 52.1840000 42.9750000 37.4610000 L C-C-0.570224 -1 52.1570000 39.4970000 37.5900000 L O-O--0.555129 -1 52.9750000 38.8680000 38.2660000 L N-N--0.371290 0 50.9510000 38.9980000 37.2920000 L H-H-0.234053 0 50.3100000 39.5640000 36.7480000 L C-CT--0.030057 0 50.5160000 37.6780000 37.7540000 L H-H1-0.102448 0 50.6780000 37.6260000 38.8310000 L C-CT--0.098720 0 49.0140000 37.4890000 37.4870000 L H-HC-0.060989 0 48.8330000 37.5750000 36.4140000 L H-HC-0.060989 0 48.7350000 36.4770000 37.7870000 L C-CA-0.021313 0 48.1110000 38.4580000 38.2350000 L C-CA--0.083109 0 48.2420000 38.6240000 39.6300000 L H-HA-0.098466 0 48.9800000 38.0610000 40.1820000 L C-CA--0.156974 0 47.4160000 39.5290000 40.3180000 L H-HA-0.123731 0 47.5310000 39.6620000 41.3840000 L C-CA--0.099824 0 46.4400000 40.2610000 39.6220000 L H-HA-0.114679 0 45.8020000 40.9540000 40.1530000 L C-CA--0.156974 0 46.2910000 40.0840000 38.2360000 L H-HA-0.123731 0 45.5320000 40.6350000 37.7010000 L C-CA--0.083109 0 47.1280000 39.1900000 37.5430000 L H-HA-0.098466 0 47.0150000 39.0750000 36.4750000 L C-C-0.547987 0 51.3550000 36.5460000 37.1490000 L O-O--0.506795 0 51.6940000 35.6050000 37.8630000 L N-N--0.404773 -1 51.7770000 36.6640000 35.8820000 L H-H-0.294276 -1 51.4630000 37.4610000 35.3410000 L C-CT--0.027733 -1 52.7020000 35.7120000 35.2580000 L H-H1-0.120802 -1 52.2430000 34.7210000 35.2650000 L C-CT--0.229951 -1 52.9180000 36.1280000 33.7960000 L H-HC-0.077428 -1 53.5760000 35.4090000 33.3060000 L H-HC-0.077428 -1 51.9630000 36.1440000 33.2690000 L H-HC-0.077428 -1 53.3740000 37.1170000 33.7430000 L C-C-0.570224 -1 54.0300000 35.5910000 36.0350000 L O-O--0.555129 -1 54.4840000 34.4800000 36.3130000 L N-N--0.300879 -1 54.6100000 36.7200000 36.4690000 L H-H-0.233693 -1 54.1790000 37.6020000 36.2260000 L C-CT--0.131381 -1 55.8150000 36.7360000 37.3150000 L H-H1-0.053266 -1 56.6110000 36.2010000 36.7940000 L C-CT-0.036707 -1 56.2860000 38.1790000 37.5550000 L H-HC-0.028012 -1 55.4610000 38.7770000 37.9360000 L H-HC-0.028012 -1 57.0710000 38.1730000 38.3110000 L C-CT-0.012454 -1 56.8340000 38.8220000 36.2740000 L H-HC-0.002964 -1 57.7700000 38.3420000 35.9930000 L H-HC-0.002964 -1 56.1210000 38.6740000 35.4660000 L C-CT-0.126329 -1 57.0550000 40.3290000 36.4260000 L H-H1-0.068148 -1 57.3560000 40.7290000 35.4580000 L H-H1-0.068148 -1 56.1100000 40.7950000 36.7120000 L N-N2--0.464890 -1 58.0950000 40.6600000 37.4110000 L H-H-0.326274 -1 58.6890000 39.8970000 37.7320000 L C-CA-0.565543 -1 58.4180000 41.8870000 37.7980000 L N-N2--0.685774 -1 57.7640000 42.9390000 37.3530000 L H-H-0.391052 -1 57.0450000 42.8210000 36.6480000 L H-H-0.391052 -1 58.0620000 43.8780000 37.5910000 L N-N2--0.685774 -1 59.4150000 42.0700000 38.6330000 L H-H-0.391052 -1 59.9790000 41.2880000 38.9520000 L H-H-0.391052 -1 59.6870000 43.0060000 38.9180000 L C-C-0.730308 -1 55.5830000 36.0240000 38.6540000 L O-O--0.578332 -1 56.3750000 35.1650000 39.0450000 L N-N--0.404773 -1 54.4720000 36.3130000 39.3370000 L H-H-0.294276 -1 53.8500000 37.0240000 38.9700000 L C-CT--0.027733 -1 54.1220000 35.6530000 40.5980000 L H-H1-0.120802 -1 54.9420000 35.8080000 41.3040000 L C-CT--0.229951 -1 52.8760000 36.3380000 41.1700000 L H-HC-0.077428 -1 52.0280000 36.2000000 40.4990000 L H-HC-0.077428 -1 52.6380000 35.9120000 42.1450000 L H-HC-0.077428 -1 53.0620000 37.4060000 41.2950000 L C-C-0.570224 -1 53.9660000 34.1210000 40.4540000 L O-O--0.555129 -1 54.4560000 33.3810000 41.3070000 L N-N--0.371290 -1 53.3780000 33.6300000 39.3540000 L H-H-0.234053 -1 52.9440000 34.2760000 38.7030000 L C-CT--0.030057 -1 53.3320000 32.1950000 39.0440000 L H-H1-0.102448 -1 52.9870000 31.6650000 39.9330000 L C-CT--0.098720 -1 52.3360000 31.9320000 37.9020000 L H-HC-0.060989 -1 52.6080000 32.5470000 37.0420000 L H-HC-0.060989 -1 52.4320000 30.8910000 37.5920000 L C-CA-0.021313 -1 50.8760000 32.1660000 38.2540000 L C-CA--0.083109 -1 50.3100000 31.5410000 39.3830000 L H-HA-0.098466 -1 50.9090000 30.8900000 40.0040000 L C-CA--0.156974 -1 48.9610000 31.7550000 39.7120000 L H-HA-0.123731 -1 48.5440000 31.2890000 40.5910000 L C-CA--0.099824 -1 48.1650000 32.5930000 38.9130000 L H-HA-0.114679 -1 47.1300000 32.7670000 39.1730000 L C-CA--0.156974 -1 48.7240000 33.2150000 37.7840000 L H-HA-0.123731 -1 48.1170000 33.8630000 37.1690000 L C-CA--0.083109 -1 50.0710000 32.9920000 37.4470000 L H-HA-0.098466 -1 50.4860000 33.4670000 36.5700000 L C-C-0.547987 -1 54.7110000 31.6040000 38.7090000 L O-O--0.506795 -1 55.0040000 30.4800000 39.1190000 L N-N--0.387353 -1 55.5790000 32.3390000 38.0040000 L H-H-0.300605 -1 55.2590000 33.2240000 37.6220000 L C-CT-0.037470 -1 56.9660000 31.9260000 37.7510000 L H-H1-0.152255 -1 56.9790000 30.9350000 37.2930000 L C-CT--0.032112 -1 57.6410000 32.9090000 36.7830000 L H-HC-0.030995 -1 57.4680000 33.9280000 37.1240000 L H-HC-0.030995 -1 58.7170000 32.7360000 36.7940000 L C-CT--0.020264 -1 57.1530000 32.7700000 35.3320000 L H-HC-0.030791 -1 57.5440000 31.8490000 34.8990000 L H-HC-0.030791 -1 56.0660000 32.7130000 35.3120000 L C-C-0.667812 -1 57.6010000 33.9550000 34.4760000 L O-O--0.628483 -1 58.6450000 34.5590000 34.6820000 L N-N--0.883393 -1 56.8380000 34.3660000 33.4940000 L H-H-0.408312 -1 57.1340000 35.2070000 33.0090000 L H-H-0.408312 -1 55.9900000 33.8600000 33.2620000 L C-C-0.418577 -1 57.7740000 31.8160000 39.0540000 L O-O--0.565310 -1 58.4290000 30.7970000 39.2660000 L N-N--0.450087 -1 57.7030000 32.8060000 39.9510000 L H-H-0.440048 -1 57.1850000 33.6510000 39.7020000 L C-CT--0.051858 -1 58.4140000 32.7730000 41.2480000 L H-H1--0.026204 -1 59.4820000 32.7090000 41.0310000 L C-CT-0.395217 -1 58.1790000 34.0700000 42.0620000 L H-HC--0.115672 -1 57.1090000 34.2880000 42.0690000 L C-CT--0.090132 -1 58.6600000 33.9800000 43.5230000 L H-HC--0.008985 -1 58.0700000 33.2470000 44.0750000 L H-HC--0.008985 -1 59.7120000 33.6930000 43.5560000 L H-HC--0.008985 -1 58.5380000 34.9450000 44.0150000 L C-CT--0.090132 -1 58.9050000 35.2540000 41.3960000 L H-HC--0.008985 -1 59.9840000 35.0940000 41.4230000 L H-HC--0.008985 -1 58.5960000 35.3610000 40.3570000 L H-HC--0.008985 -1 58.6690000 36.1780000 41.9230000 L C-C-0.447359 -1 58.0370000 31.5260000 42.0640000 L O-O--0.404629 -1 58.9220000 30.8060000 42.5250000 L N-N--0.427579 0 56.7390000 31.2130000 42.1880000 L H-H-0.241716 0 56.0380000 31.8510000 41.8300000 L C-CT--0.020082 0 56.2940000 30.0020000 42.8870000 L H-H1-0.106629 0 56.8820000 29.9140000 43.8010000 L C-CT--0.098364 0 54.8230000 30.1600000 43.3040000 L H-HC-0.065424 0 54.2370000 30.5120000 42.4530000 L H-HC-0.065424 0 54.4340000 29.1800000 43.5850000 L C-C*--0.099797 0 54.6060000 31.0720000 44.4820000 L C-CW--0.174053 0 53.8850000 32.2170000 44.4870000 L H-H4-0.170633 0 53.3740000 32.6240000 43.6240000 L N-NA--0.298433 0 53.9190000 32.7890000 45.7480000 L H-H-0.322375 0 53.4610000 33.6600000 45.9990000 L C-CN-0.141523 0 54.6890000 32.0490000 46.6150000 L C-CA--0.210701 0 55.0450000 32.2230000 47.9600000 L H-HA-0.125512 0 54.6770000 33.0760000 48.5100000 L C-CA--0.133022 0 55.8960000 31.2880000 48.5700000 L H-HA-0.119467 0 56.1990000 31.4200000 49.6000000 L C-CA--0.164054 0 56.3610000 30.1840000 47.8340000 L H-HA-0.119250 0 57.0320000 29.4770000 48.2980000 L C-CA--0.153992 0 55.9760000 30.0050000 46.4910000 L H-HA-0.123084 0 56.3430000 29.1520000 45.9410000 L C-CB-0.089641 0 55.1390000 30.9390000 45.8390000 L C-C-0.584129 0 56.5580000 28.6970000 42.1060000 L O-O--0.494730 0 56.6630000 27.6330000 42.7200000 L N-N--0.541430 -1 56.7380000 28.7420000 40.7810000 L H-H-0.345415 -1 56.7200000 29.6520000 40.3330000 L C-CT-0.118140 -1 57.1510000 27.5640000 39.9900000 L H-H1-0.142177 -1 56.4710000 26.7340000 40.1900000 L C-CT-0.146998 -1 57.1080000 27.8490000 38.4770000 L H-H1-0.040081 -1 57.7990000 28.6550000 38.2350000 L H-H1-0.040081 -1 57.4430000 26.9570000 37.9460000 L O-OH--0.640312 -1 55.8070000 28.1850000 38.0120000 L H-HO-0.446255 -1 55.4870000 28.9550000 38.5250000 L C-C-0.483424 -1 58.5680000 27.0930000 40.3700000 L O-O--0.580829 -1 58.8140000 25.8940000 40.4840000 L N-N--0.558201 -1 59.4920000 28.0190000 40.6560000 L H-H-0.319676 -1 59.2270000 28.9960000 40.5580000 L C-CT-0.007225 -1 60.9250000 27.7500000 40.8920000 L H-H1-0.082375 -1 61.2980000 27.1810000 40.0380000 L C-CT--0.047555 -1 61.6570000 29.1060000 40.9260000 L H-HC--0.014836 -1 61.2450000 29.7480000 40.1490000 L H-HC--0.014836 -1 61.4790000 29.5880000 41.8890000 L C-C-0.745168 -1 63.1610000 28.9830000 40.6730000 L O-O2--0.730385 -1 63.5490000 28.3410000 39.6720000 L O-O2--0.730385 -1 63.9700000 29.5240000 41.4660000 L C-C-0.443199 -1 61.2260000 26.9200000 42.1620000 L O-O--0.501445 -1 62.3630000 26.5120000 42.4060000 L N-N--0.450087 -1 60.1980000 26.6650000 42.9730000 L H-H-0.440048 -1 59.3250000 27.0850000 42.6750000 L C-CT--0.051858 -1 60.2680000 26.0040000 44.2930000 L H-H1--0.026204 -1 61.2020000 25.4430000 44.3330000 L C-CT-0.395217 -1 60.3050000 27.0540000 45.4340000 L H-HC--0.115672 -1 60.3430000 26.5280000 46.3880000 L C-CT--0.090132 -1 61.5720000 27.9210000 45.3560000 L H-HC--0.008985 -1 61.6100000 28.5800000 46.2190000 L H-HC--0.008985 -1 62.4590000 27.2850000 45.3600000 L H-HC--0.008985 -1 61.5700000 28.5330000 44.4540000 L C-CT--0.090132 -1 59.0590000 27.9590000 45.4360000 L H-HC--0.008985 -1 58.1580000 27.3550000 45.5210000 L H-HC--0.008985 -1 59.0950000 28.6340000 46.2900000 L H-HC--0.008985 -1 59.0090000 28.5500000 44.5220000 L C-C-0.447359 -1 59.1470000 24.9700000 44.5240000 L O-O--0.404629 -1 58.9510000 24.5100000 45.6520000 L N-N--0.245382 -1 58.4120000 24.5920000 43.4650000 L H-H-0.255339 -1 58.6640000 24.9510000 42.5500000 L C-CT--0.271249 -1 57.3150000 23.6060000 43.4990000 L H-H1-0.163757 -1 57.4550000 22.9480000 44.3550000 L C-CT-0.237868 -1 55.9450000 24.2950000 43.6440000 L H-H1-0.044688 -1 55.1700000 23.5340000 43.6800000 L C-CT--0.176489 -1 55.7840000 25.1430000 44.9020000 L H-HC-0.060019 -1 56.0160000 24.5400000 45.7780000 L H-HC-0.060019 -1 56.4490000 26.0040000 44.8720000 L H-HC-0.060019 -1 54.7540000 25.4940000 44.9740000 L O-OH--0.601931 -1 55.6980000 25.0890000 42.5160000 L H-HO-0.405484 -1 56.0760000 25.9710000 42.6760000 L C-C-0.559878 -1 57.3320000 22.7420000 42.2280000 L O-O--0.552020 -1 57.9580000 23.1350000 41.2400000 L N-N--0.088116 -1 56.5920000 21.6170000 42.1810000 L C-CT--0.011906 -1 56.0150000 20.8890000 43.3050000 L H-H1-0.043951 -1 55.4270000 21.5370000 43.9480000 L H-H1-0.043950 -1 56.8140000 20.4140000 43.8740000 L C-CT-0.013059 -1 55.1130000 19.8120000 42.7050000 L H-HC-0.019574 -1 54.1030000 20.2040000 42.5700000 L H-HC-0.019574 -1 55.0930000 18.9090000 43.3130000 L C-CT--0.003351 -1 55.7610000 19.5660000 41.3460000 L H-HC-0.019352 -1 55.0650000 19.1150000 40.6370000 L H-HC-0.019352 -1 56.6340000 18.9310000 41.4770000 L C-CT--0.034577 -1 56.2090000 20.9710000 40.9300000 L H-H1-0.059977 -1 57.0590000 20.9040000 40.2510000 L C-C-0.333720 -1 55.0540000 21.7010000 40.2230000 L O-O--0.434559 -1 54.7090000 21.3260000 39.1060000 L N-N--0.355153 -1 54.4130000 22.6940000 40.8610000 L H-H-0.262417 -1 54.8110000 23.0780000 41.7080000 L C-CT--0.101497 -1 53.1730000 23.2990000 40.3790000 L H-H1-0.136951 -1 52.5130000 22.5000000 40.0500000 L C-CT--0.144399 -1 52.4760000 24.0760000 41.5160000 L H-HC-0.052533 -1 53.1260000 24.8950000 41.8290000 L H-HC-0.052533 -1 51.5640000 24.5230000 41.1150000 L C-CT-0.191982 -1 52.1030000 23.2340000 42.7570000 L H-HC-0.000825 -1 53.0110000 22.8190000 43.1960000 L C-CT--0.123036 -1 51.4430000 24.1320000 43.8100000 L H-HC-0.022376 -1 50.5350000 24.5850000 43.4080000 L H-HC-0.022376 -1 51.1880000 23.5450000 44.6930000 L H-HC-0.022376 -1 52.1380000 24.9170000 44.1060000 L C-CT--0.123036 -1 51.1640000 22.0680000 42.4130000 L H-HC-0.022376 -1 51.6830000 21.3530000 41.7770000 L H-HC-0.022376 -1 50.8630000 21.5530000 43.3260000 L H-HC-0.022376 -1 50.2740000 22.4360000 41.9010000 L C-C-0.573471 -1 53.4360000 24.1960000 39.1660000 L O-O--0.557847 -1 54.3920000 24.9710000 39.1470000 L N-N--0.300879 -1 52.5740000 24.0840000 38.1540000 L H-H-0.233693 -1 51.8020000 23.4450000 38.2660000 L C-CT--0.131381 -1 52.6590000 24.8090000 36.8800000 L H-H1-0.053266 -1 53.3000000 25.6810000 37.0040000 L C-CT-0.036707 -1 53.2670000 23.8980000 35.7930000 L H-HC-0.028012 -1 52.6500000 23.0030000 35.6980000 L H-HC-0.028012 -1 53.2380000 24.4170000 34.8360000 L C-CT-0.012454 -1 54.7220000 23.4620000 36.0610000 L H-HC-0.002964 -1 54.7640000 22.8890000 36.9850000 L H-HC-0.002964 -1 55.0350000 22.8030000 35.2500000 L C-CT-0.126329 -1 55.7160000 24.6320000 36.1460000 L H-H1-0.068148 -1 55.7120000 25.1600000 35.1940000 L H-H1-0.068148 -1 55.4110000 25.3390000 36.9160000 L N-N2--0.464890 -1 57.0870000 24.1700000 36.4220000 L H-H-0.326274 -1 57.7030000 24.0460000 35.6210000 L C-CA-0.565543 -1 57.6590000 23.9860000 37.6050000 L N-N2--0.685774 -1 57.0310000 24.1420000 38.7480000 L H-H-0.391052 -1 56.0570000 24.4230000 38.7700000 L H-H-0.391052 -1 57.5250000 24.0020000 39.6240000 L N-N2--0.685774 -1 58.9230000 23.6490000 37.6390000 L H-H-0.391052 -1 59.4370000 23.6120000 36.7620000 L H-H-0.391052 -1 59.4330000 23.6170000 38.5140000 L C-C-0.730308 -1 51.2730000 25.3320000 36.4880000 L O-O--0.578332 -1 50.2540000 24.7620000 36.8990000 L N-N--0.371290 -1 51.2450000 26.4420000 35.7470000 L H-H-0.234053 -1 52.1210000 26.7740000 35.3600000 L C-CT--0.030057 -1 50.1190000 27.3800000 35.7200000 L H-H1-0.102448 -1 49.2370000 26.9070000 36.1460000 L C-CT--0.098720 -1 50.4810000 28.6060000 36.5810000 L H-HC-0.060989 -1 51.3120000 29.1350000 36.1090000 L H-HC-0.060989 -1 49.6330000 29.2940000 36.5870000 L C-CA-0.021313 -1 50.8620000 28.3000000 38.0200000 L C-CA--0.083109 -1 52.2070000 28.0600000 38.3650000 L H-HA-0.098466 -1 52.9770000 28.1020000 37.6090000 L C-CA--0.156974 -1 52.5540000 27.7540000 39.6930000 L H-HA-0.123731 -1 53.5870000 27.5580000 39.9490000 L C-CA--0.099824 -1 51.5610000 27.6980000 40.6850000 L H-HA-0.114679 -1 51.8300000 27.4640000 41.7060000 L C-CA--0.156974 -1 50.2190000 27.9540000 40.3480000 L H-HA-0.123731 -1 49.4550000 27.9210000 41.1100000 L C-CA--0.083109 -1 49.8710000 28.2570000 39.0190000 L H-HA-0.098466 -1 48.8410000 28.4610000 38.7660000 L C-C-0.547987 -1 49.7930000 27.8330000 34.2930000 L O-O--0.506795 -1 50.6960000 28.0890000 33.4990000 L N-N--0.541430 -1 48.5100000 28.0030000 33.9770000 L H-H-0.345415 -1 47.7900000 27.7730000 34.6510000 L C-CT-0.118140 -1 48.0630000 28.6090000 32.7140000 L H-H1-0.142177 -1 48.7420000 29.4220000 32.4520000 L C-CT-0.146998 -1 48.1200000 27.5780000 31.5720000 L H-H1-0.040081 -1 47.8240000 28.0660000 30.6420000 L H-H1-0.040081 -1 49.1510000 27.2420000 31.4590000 L O-OH--0.640312 -1 47.2910000 26.4430000 31.7810000 L H-HO-0.446255 -1 47.5310000 26.0230000 32.6330000 L C-C-0.483424 -1 46.6580000 29.2180000 32.8400000 L O-O--0.580829 -1 45.8620000 28.8060000 33.6940000 L N-N--0.300879 -1 46.3690000 30.2240000 32.0050000 L H-H-0.233693 -1 47.0990000 30.5570000 31.3810000 L C-CT--0.131381 -1 45.0800000 30.9210000 31.9830000 L H-H1-0.053266 -1 44.8300000 31.1560000 33.0160000 L C-CT-0.036707 -1 45.2240000 32.2580000 31.2270000 L H-HC-0.028012 -1 44.4070000 32.9080000 31.5430000 L H-HC-0.028012 -1 46.1610000 32.7350000 31.5190000 L C-CT-0.012454 -1 45.1720000 32.1190000 29.6910000 L H-HC-0.002964 -1 45.8690000 31.3430000 29.3740000 L H-HC-0.002964 -1 44.1680000 31.8090000 29.4080000 L C-CT-0.126329 -1 45.5050000 33.4000000 28.9120000 L H-H1-0.068148 -1 46.5860000 33.5290000 28.9010000 L H-H1-0.068148 -1 45.1910000 33.2640000 27.8760000 L N-N2--0.464890 -1 44.8380000 34.5960000 29.4650000 L H-H-0.326274 -1 43.8320000 34.6370000 29.3840000 L C-CA-0.565543 -1 45.4380000 35.6060000 30.0860000 L N-N2--0.685774 -1 46.7400000 35.6810000 30.2420000 L H-H-0.391052 -1 47.3620000 34.9740000 29.8630000 L H-H-0.391052 -1 47.1240000 36.4950000 30.7120000 L N-N2--0.685774 -1 44.7270000 36.5870000 30.5900000 L H-H-0.391052 -1 43.7180000 36.5910000 30.4870000 L H-H-0.391052 -1 45.2150000 37.3300000 31.0790000 L C-C-0.730308 -1 43.9570000 30.0530000 31.3880000 L O-O--0.578332 -1 44.2080000 29.2310000 30.5020000 L N-N--0.451047 -1 42.7040000 30.3230000 31.7640000 L H-H-0.328831 -1 42.5840000 30.9840000 32.5250000 L C-CT--0.101874 -1 41.4880000 29.7620000 31.1370000 L H-H1-0.174193 -1 41.7640000 29.3390000 30.1700000 L C-CT-0.062238 -1 40.8900000 28.6020000 31.9770000 L H-HC-0.061662 -1 40.0900000 28.1610000 31.3870000 L C-CT--0.129989 -1 41.9270000 27.4850000 32.2010000 L H-HC-0.030227 -1 42.7230000 27.8270000 32.8630000 L H-HC-0.030227 -1 41.4520000 26.6080000 32.6400000 L H-HC-0.030227 -1 42.3620000 27.1880000 31.2460000 L C-CT-0.022230 -1 40.2480000 29.0760000 33.3000000 L H-HC-0.011551 -1 41.0240000 29.4060000 33.9900000 L H-HC-0.011551 -1 39.5850000 29.9150000 33.0960000 L C-CT--0.101251 -1 39.4000000 27.9930000 33.9750000 L H-HC-0.023792 -1 40.0480000 27.2300000 34.4020000 L H-HC-0.023792 -1 38.8040000 28.4370000 34.7710000 L H-HC-0.023792 -1 38.7230000 27.5370000 33.2510000 L C-C-0.569383 -1 40.4490000 30.8560000 30.8260000 L O-O--0.619535 -1 40.5730000 31.9940000 31.2870000 L N-N--0.506799 -1 39.4180000 30.5080000 30.0520000 L H-H-0.351021 -1 39.3730000 29.5480000 29.7130000 L C-CT-0.119066 -1 38.4610000 31.4550000 29.4610000 L H-H1-0.137761 -1 38.5460000 32.4140000 29.9760000 L C-CT--0.122638 -1 38.8380000 31.6710000 27.9830000 L H-HC-0.086329 -1 38.7470000 30.7220000 27.4520000 L H-HC-0.086329 -1 38.1270000 32.3640000 27.5340000 L C-CC--0.001547 -1 40.2290000 32.2180000 27.7610000 L N-NA--0.205785 -1 40.5700000 33.5370000 27.5710000 L H-H-0.318273 -1 39.9420000 34.3330000 27.5580000 L C-CR-0.147273 -1 41.8950000 33.6030000 27.3720000 L H-H5-0.122182 -1 42.4420000 34.5180000 27.1790000 L N-NB--0.601482 -1 42.4440000 32.3790000 27.4300000 L C-CV-0.043744 -1 41.3870000 31.4940000 27.6730000 L H-H4-0.110157 -1 41.4650000 30.4190000 27.7640000 L C-C-0.515947 -1 36.9740000 31.0280000 29.5800000 L O-O--0.599831 -1 36.0890000 31.8190000 29.2420000 L N-N--0.558201 -1 36.6780000 29.8170000 30.0680000 L H-H-0.319676 -1 37.4430000 29.1740000 30.2350000 L C-CT-0.007225 -1 35.3340000 29.3210000 30.4050000 L H-H1-0.082375 -1 34.6970000 30.1630000 30.6800000 L C-CT--0.047555 -1 34.7130000 28.6280000 29.1770000 L H-HC--0.014836 -1 34.5880000 29.3780000 28.3980000 L H-HC--0.014836 -1 35.4080000 27.8750000 28.8070000 L C-C-0.745168 -1 33.3490000 27.9630000 29.4260000 L O-O2--0.730385 -1 32.5930000 28.4200000 30.3120000 L O-O2--0.730385 -1 33.0110000 27.0070000 28.6860000 L C-C-0.443199 -1 35.4220000 28.3580000 31.6010000 L O-O--0.501445 -1 36.2720000 27.4650000 31.6270000 L N-N--0.374282 -1 34.5370000 28.5410000 32.5840000 L H-H-0.253981 -1 33.7970000 29.2100000 32.4270000 L C-CT--0.128844 -1 34.5630000 27.8500000 33.8770000 L H-HC-0.088859 -1 33.5490000 27.5620000 34.1450000 L H-HC-0.088859 -1 35.1760000 26.9500000 33.8180000 L C-C-0.580584 -1 35.1060000 28.7140000 35.0180000 L O-O--0.509157 -1 35.5690000 29.8410000 34.8150000 L N-N--0.423392 -1 35.0510000 28.1540000 36.2250000 L H-H-0.306811 -1 34.6710000 27.2130000 36.2800000 L C-CT-0.031633 -1 35.5340000 28.7410000 37.4740000 L H-H1-0.065100 -1 35.6640000 29.8150000 37.3360000 L C-CT-0.074772 -1 34.4660000 28.5410000 38.5670000 L H-HC--0.003535 -1 33.5380000 28.9720000 38.1890000 L H-HC--0.003535 -1 34.2820000 27.4780000 38.7190000 L C-CT--0.033909 -1 34.7640000 29.2320000 39.9100000 L H-HC--0.004135 -1 35.2060000 30.2100000 39.7200000 L H-HC--0.004135 -1 33.8150000 29.3940000 40.4230000 L C-C-0.765188 -1 35.6590000 28.4290000 40.8570000 L O-O2--0.824035 -1 35.4920000 27.1880000 40.9480000 L O-O2--0.824035 -1 36.5110000 29.0390000 41.5570000 L C-C-0.469735 -1 36.8950000 28.1150000 37.8040000 L O-O--0.592528 -1 36.9950000 26.9400000 38.1680000 L N-N--0.404773 -1 37.9580000 28.8920000 37.5960000 L H-H-0.294276 -1 37.7980000 29.8520000 37.3260000 L C-CT--0.027733 -1 39.3440000 28.4590000 37.7420000 L H-H1-0.120802 -1 39.5030000 27.5740000 37.1220000 L C-CT--0.229951 -1 40.2460000 29.5880000 37.2310000 L H-HC-0.077428 -1 41.2750000 29.2360000 37.2040000 L H-HC-0.077428 -1 39.9530000 29.8820000 36.2250000 L H-HC-0.077428 -1 40.1810000 30.4530000 37.8930000 L C-C-0.570224 -1 39.7030000 28.0920000 39.1890000 L O-O--0.555129 -1 39.0810000 28.5680000 40.1500000 L N-N--0.558201 -1 40.7800000 27.3170000 39.3570000 L H-H-0.319676 -1 41.2940000 27.0130000 38.5370000 L C-CT-0.007225 -1 41.3770000 27.0950000 40.6790000 L H-H1-0.082375 -1 40.6660000 26.5480000 41.3010000 L C-CT--0.047555 -1 42.6560000 26.2500000 40.5890000 L H-HC--0.014836 -1 43.4160000 26.8130000 40.0520000 L H-HC--0.014836 -1 43.0330000 26.0790000 41.5950000 L C-C-0.745168 -1 42.4570000 24.8980000 39.9040000 L O-O2--0.730385 -1 43.0920000 24.6900000 38.8440000 L O-O2--0.730385 -1 41.6740000 24.0540000 40.4010000 L C-C-0.443199 -1 41.6390000 28.4580000 41.3390000 L O-O--0.501445 -1 41.0810000 28.7280000 42.3990000 L N-N--0.451047 -1 42.2800000 29.3820000 40.6150000 L H-H-0.328831 -1 42.6730000 29.0800000 39.7230000 L C-CT--0.101874 -1 42.5590000 30.7590000 41.0500000 L H-H1-0.174193 -1 42.2030000 30.8930000 42.0730000 L C-CT-0.062238 -1 44.0920000 31.0020000 41.0770000 L H-HC-0.061662 -1 44.4790000 30.8550000 40.0680000 L C-CT--0.129989 -1 44.4090000 32.4510000 41.5040000 L H-HC-0.030227 -1 43.9580000 33.1610000 40.8150000 L H-HC-0.030227 -1 44.0230000 32.6450000 42.5030000 L H-HC-0.030227 -1 45.4830000 32.6310000 41.4910000 L C-CT-0.022230 -1 44.7880000 29.9780000 42.0140000 L H-HC-0.011551 -1 44.4120000 30.0990000 43.0280000 L H-HC-0.011551 -1 44.5440000 28.9650000 41.6920000 L C-CT--0.101251 -1 46.3180000 30.0590000 42.0430000 L H-HC-0.023792 -1 46.7080000 29.2400000 42.6480000 L H-HC-0.023792 -1 46.7060000 29.9650000 41.0280000 L H-HC-0.023792 -1 46.6470000 30.9980000 42.4850000 L C-C-0.569383 -1 41.7800000 31.7620000 40.1750000 L O-O--0.619535 -1 42.2520000 32.2070000 39.1280000 L N-N--0.394918 -1 40.5560000 32.1140000 40.5790000 L H-H-0.280537 -1 40.1870000 31.6960000 41.4260000 L C-CT--0.087681 -1 39.8550000 33.2830000 40.0150000 L H-H1-0.123080 -1 39.9500000 33.2710000 38.9280000 L C-CT-0.019227 -1 38.3630000 33.2550000 40.3830000 L H-HC-0.048840 -1 38.2600000 33.2110000 41.4650000 L H-HC-0.048840 -1 37.8950000 34.1830000 40.0540000 L C-CT--0.208167 -1 37.6090000 32.0730000 39.7580000 L H-H1-0.124228 -1 38.1020000 31.1450000 40.0520000 L H-H1-0.124228 -1 36.6060000 32.0520000 40.1850000 L S-S--0.211958 -1 37.4500000 32.0930000 37.9510000 L C-CT--0.284698 -1 36.3500000 33.5140000 37.7390000 L H-H1-0.128394 -1 36.8620000 34.4310000 38.0280000 L H-H1-0.128394 -1 36.0430000 33.5950000 36.6970000 L H-H1-0.128394 -1 35.4590000 33.3920000 38.3590000 L C-C-0.599684 -1 40.4910000 34.5800000 40.5370000 L O-O--0.566424 -1 40.8630000 34.6560000 41.7070000 L N-N--0.451047 -1 40.5790000 35.6190000 39.7030000 L H-H-0.328831 -1 40.3210000 35.4630000 38.7320000 L C-CT--0.101874 -1 41.2520000 36.8920000 40.0200000 L H-H1-0.174193 -1 41.4550000 36.9240000 41.0880000 L C-CT-0.062238 -1 42.6160000 36.9920000 39.2870000 L H-HC-0.061662 -1 42.4270000 36.9870000 38.2150000 L 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22.3530000 L O-O2--0.824035 -1 57.5480000 57.0160000 22.6870000 L C-C-0.469735 -1 55.3800000 55.1290000 26.8520000 L O-O--0.592528 -1 54.1660000 55.3020000 26.6900000 L N-N--0.487560 -1 55.9310000 55.0520000 28.0720000 L H-H-0.263521 -1 56.9380000 54.9720000 28.1240000 L C-CT-0.009614 -1 55.2130000 54.9110000 29.3530000 L H-H1-0.095501 -1 54.1490000 55.0990000 29.2090000 L C-CT--0.051853 -1 55.3870000 53.4670000 29.8530000 L H-HC-0.019145 -1 56.4540000 53.2470000 29.9150000 L H-HC-0.019145 -1 55.0020000 53.4000000 30.8700000 L C-CA-0.112601 -1 54.7160000 52.3820000 29.0250000 L C-CA--0.183461 -1 53.4420000 51.9000000 29.3860000 L H-HA-0.132715 -1 52.9190000 52.3330000 30.2290000 L C-CA--0.181823 -1 52.8580000 50.8280000 28.6810000 L H-HA-0.137303 -1 51.8910000 50.4500000 28.9830000 L C-C-0.206277 -1 53.5460000 50.2400000 27.5950000 L O-OH--0.421233 -1 53.0120000 49.1820000 26.9220000 L H-HO-0.329691 -1 52.2050000 48.8320000 27.3340000 L C-CA--0.181823 -1 54.8120000 50.7390000 27.2180000 L H-HA-0.137303 -1 55.3510000 50.2880000 26.3960000 L C-CA--0.183461 -1 55.3960000 51.7990000 27.9370000 L H-HA-0.132715 -1 56.3790000 52.1530000 27.6620000 L C-C-0.622290 -1 55.7290000 55.8920000 30.4320000 L O-O--0.526607 -1 56.9120000 56.2430000 30.4530000 L N-N--0.435921 -1 54.8460000 56.3330000 31.3350000 L H-H-0.290077 -1 53.9030000 55.9600000 31.2880000 L C-CT--0.030547 -1 55.1140000 57.3710000 32.3460000 L H-H1-0.132146 -1 55.6020000 58.2100000 31.8460000 L C-CT--0.033006 -1 53.7680000 57.8720000 32.8930000 L H-H1-0.078951 -1 53.0910000 58.0360000 32.0540000 L H-H1-0.078951 -1 53.3340000 57.1020000 33.5290000 L S-S--0.132272 -1 53.8160000 59.4200000 33.8340000 L C-C-0.624788 -1 56.0560000 56.9140000 33.4800000 L O-O--0.573167 -1 56.3320000 55.7230000 33.6440000 L N-N--0.435875 -1 56.5570000 57.8780000 34.2620000 L H-H-0.251302 -1 56.2480000 58.8260000 34.0920000 L C-CT--0.038773 -1 57.4610000 57.6860000 35.4050000 L H-H1-0.129478 -1 57.1800000 56.7750000 35.9350000 L C-CT--0.108273 -1 58.8840000 57.5220000 34.8330000 L H-HC-0.045214 -1 58.8670000 56.7010000 34.1120000 L H-HC-0.045214 -1 59.1670000 58.4340000 34.3030000 L C-CT-0.033341 -1 59.9450000 57.2050000 35.8970000 L H-HC-0.010208 -1 60.1810000 58.1060000 36.4650000 L H-HC-0.010208 -1 59.5490000 56.4540000 36.5820000 L C-CT--0.047841 -1 61.2300000 56.6450000 35.2700000 L H-HC-0.070715 -1 61.9120000 56.3800000 36.0780000 L H-HC-0.070715 -1 60.9810000 55.7300000 34.7270000 L C-CT--0.069974 -1 61.9360000 57.6240000 34.3190000 L H-HP-0.119522 -1 61.2350000 57.9580000 33.5500000 L H-HP-0.119522 -1 62.2620000 58.4980000 34.8890000 L N-N3--0.250358 -1 63.1040000 56.9770000 33.6760000 L H-H-0.294561 -1 63.7260000 56.5970000 34.3820000 L H-H-0.294561 -1 62.7980000 56.2110000 33.0800000 L H-H-0.294561 -1 63.6470000 57.6350000 33.1230000 L C-C-0.725129 -1 57.3730000 58.8760000 36.3890000 L O-O--0.563157 -1 57.1720000 60.0120000 35.9510000 L N-N--0.371290 -1 57.5980000 58.6480000 37.6880000 L H-H-0.234053 -1 57.6870000 57.6860000 37.9870000 L C-CT--0.030057 -1 57.5730000 59.6730000 38.7470000 L H-H1-0.102448 -1 57.6590000 60.6590000 38.2920000 L C-CT--0.098720 -1 56.2160000 59.5760000 39.4710000 L H-HC-0.060989 -1 56.0670000 58.5490000 39.8120000 L H-HC-0.060989 -1 56.2290000 60.2010000 40.3600000 L C-CA-0.021313 -1 55.0340000 60.0090000 38.6250000 L C-CA--0.083109 -1 54.9150000 61.3510000 38.2190000 L H-HA-0.098466 -1 55.6520000 62.0750000 38.5290000 L C-CA--0.156974 -1 53.8480000 61.7470000 37.3920000 L H-HA-0.123731 -1 53.7680000 62.7730000 37.0680000 L C-CA--0.099824 -1 52.8900000 60.8050000 36.9800000 L H-HA-0.114679 -1 52.0790000 61.1030000 36.3310000 L C-CA--0.156974 -1 52.9970000 59.4680000 37.3990000 L H-HA-0.123731 -1 52.2690000 58.7380000 37.0790000 L C-CA--0.083109 -1 54.0670000 59.0710000 38.2190000 L H-HA-0.098466 -1 54.1520000 58.0400000 38.5230000 L C-C-0.547987 -1 58.7500000 59.5110000 39.7370000 L O-O--0.506795 -1 59.3160000 58.4140000 39.8200000 L N-N--0.088116 -1 59.1250000 60.5590000 40.5070000 L C-CT--0.011906 -1 60.1970000 60.4500000 41.4930000 L H-H1-0.043951 -1 61.1140000 60.0750000 41.0370000 L H-H1-0.043950 -1 59.8820000 59.7830000 42.2950000 L C-CT-0.013059 -1 60.4230000 61.8540000 42.0520000 L H-HC-0.019574 -1 61.1820000 62.3690000 41.4610000 L H-HC-0.019574 -1 60.7070000 61.8280000 43.1050000 L C-CT--0.003351 -1 59.0640000 62.5170000 41.8450000 L H-HC-0.019352 -1 59.1440000 63.6050000 41.8310000 L H-HC-0.019352 -1 58.3860000 62.2030000 42.6400000 L C-CT--0.034577 -1 58.5860000 61.9290000 40.5090000 L H-H1-0.059977 -1 57.4980000 61.9310000 40.5030000 L C-C-0.333720 -1 59.0910000 62.7690000 39.3210000 L O-O--0.434559 -1 59.9180000 62.3100000 38.5330000 L N-N--0.371290 -1 58.6110000 64.0160000 39.2100000 L H-H-0.234053 -1 57.9370000 64.3350000 39.8960000 L C-CT--0.030057 -1 59.1910000 65.0490000 38.3370000 L H-H1-0.102448 -1 60.2670000 64.8770000 38.2960000 L C-CT--0.098720 -1 58.6520000 64.9170000 36.8940000 L H-HC-0.060989 -1 59.4020000 65.3210000 36.2150000 L H-HC-0.060989 -1 58.5630000 63.8600000 36.6400000 L C-CA-0.021313 -1 57.3340000 65.6090000 36.5860000 L C-CA--0.083109 -1 57.3260000 66.8880000 35.9920000 L H-HA-0.098466 -1 58.2580000 67.3930000 35.7760000 L C-CA--0.156974 -1 56.1090000 67.5120000 35.6650000 L H-HA-0.123731 -1 56.1050000 68.4930000 35.2130000 L C-CA--0.099824 -1 54.8920000 66.8630000 35.9330000 L H-HA-0.114679 -1 53.9550000 67.3480000 35.6980000 L C-CA--0.156974 -1 54.8960000 65.5870000 36.5220000 L H-HA-0.123731 -1 53.9590000 65.0960000 36.7390000 L C-CA--0.083109 -1 56.1130000 64.9600000 36.8460000 L H-HA-0.098466 -1 56.1120000 63.9790000 37.2960000 L C-C-0.547987 -1 59.0010000 66.4660000 38.9190000 L O-O--0.506795 -1 58.2970000 66.6460000 39.9110000 L N-N--0.355153 -1 59.6180000 67.4730000 38.2920000 L H-H-0.262417 -1 60.1990000 67.2230000 37.4980000 L C-CT--0.101497 -1 59.6990000 68.8730000 38.7230000 L H-H1-0.136951 -1 58.9550000 69.0660000 39.4950000 L C-CT--0.144399 -1 61.1130000 69.0740000 39.3130000 L H-HC-0.052533 -1 61.1630000 68.5300000 40.2570000 L H-HC-0.052533 -1 61.8290000 68.6060000 38.6330000 L C-CT-0.191982 -1 61.5950000 70.5230000 39.5490000 L H-HC-0.000825 -1 61.5930000 71.0620000 38.6020000 L C-CT--0.123036 -1 60.7360000 71.3070000 40.5490000 L H-HC-0.022376 -1 59.8010000 71.5910000 40.0750000 L H-HC-0.022376 -1 60.5410000 70.7060000 41.4380000 L H-HC-0.022376 -1 61.2440000 72.2260000 40.8420000 L C-CT--0.123036 -1 63.0420000 70.4850000 40.0530000 L H-HC-0.022376 -1 63.4010000 71.5010000 40.2090000 L H-HC-0.022376 -1 63.0980000 69.9390000 40.9930000 L H-HC-0.022376 -1 63.6800000 70.0000000 39.3140000 L C-C-0.573471 -1 59.4250000 69.8040000 37.5330000 L O-O--0.557847 -1 60.0100000 69.6270000 36.4640000 L N-N--0.371290 -1 58.5700000 70.8150000 37.7290000 L H-H-0.234053 -1 58.1380000 70.9010000 38.6430000 L C-CT--0.030057 -1 58.2410000 71.8410000 36.7310000 L H-H1-0.102448 -1 59.1340000 72.0730000 36.1470000 L C-CT--0.098720 -1 57.1620000 71.2860000 35.7840000 L H-HC-0.060989 -1 57.5860000 70.4460000 35.2330000 L H-HC-0.060989 -1 56.3280000 70.9030000 36.3720000 L C-CA-0.021313 -1 56.6260000 72.2970000 34.7860000 L C-CA--0.083109 -1 57.3790000 72.6210000 33.6440000 L H-HA-0.098466 -1 58.3240000 72.1330000 33.4650000 L C-CA--0.156974 -1 56.9040000 73.5800000 32.7310000 L H-HA-0.123731 -1 57.4890000 73.8320000 31.8570000 L C-CA--0.099824 -1 55.6730000 74.2190000 32.9600000 L H-HA-0.114679 -1 55.3140000 74.9650000 32.2640000 L C-CA--0.156974 -1 54.9160000 73.8970000 34.1000000 L H-HA-0.123731 -1 53.9750000 74.3960000 34.2780000 L C-CA--0.083109 -1 55.3910000 72.9370000 35.0120000 L H-HA-0.098466 -1 54.8080000 72.7010000 35.8910000 L C-C-0.547987 -1 57.7520000 73.1390000 37.3950000 L O-O--0.506795 -1 56.9390000 73.0940000 38.3220000 L N-N--0.430106 -1 58.2220000 74.2840000 36.8830000 L H-H-0.254543 -1 58.8840000 74.2210000 36.1140000 L C-CT-0.044609 -1 57.9210000 75.6570000 37.3130000 L H-H1-0.059601 -1 58.8370000 76.2130000 37.1080000 L C-CT--0.093650 -1 56.8310000 76.2640000 36.4080000 L H-HC-0.043321 -1 57.0340000 76.0050000 35.3690000 L H-HC-0.043321 -1 55.8620000 75.8440000 36.6770000 L C-C-0.583519 -1 56.7770000 77.7900000 36.5070000 L O-O--0.526813 -1 57.7200000 78.4540000 36.9270000 L N-N--0.781735 -1 55.6680000 78.4010000 36.1470000 L H-H-0.355079 -1 55.6420000 79.4060000 36.2120000 L H-H-0.355079 -1 54.8580000 77.8670000 35.8570000 L C-C-0.617141 -1 57.6600000 75.8440000 38.8280000 L O-O--0.523909 -1 56.6430000 76.4130000 39.2430000 L N-N--0.374282 -1 58.5800000 75.3290000 39.6560000 L H-H-0.253981 -1 59.3750000 74.8650000 39.2280000 L C-CT--0.128844 -1 58.6130000 75.5590000 41.1080000 L H-HC-0.088859 -1 59.6560000 75.5900000 41.4230000 L H-HC-0.088859 -1 58.1440000 76.5170000 41.3330000 L C-C-0.580584 -1 57.9290000 74.5020000 41.9830000 L O-O--0.509157 -1 57.9670000 74.6420000 43.2060000 L N-N--0.435875 -1 57.3440000 73.4400000 41.4170000 L H-H-0.251302 -1 57.3330000 73.3780000 40.4040000 L C-CT--0.038773 -1 56.7300000 72.3360000 42.1780000 L H-H1-0.129478 -1 56.9680000 72.4490000 43.2360000 L C-CT--0.108273 -1 55.1900000 72.4120000 42.0490000 L H-HC-0.045214 -1 54.8380000 73.2960000 42.5840000 L H-HC-0.045214 -1 54.9200000 72.5130000 40.9980000 L C-CT-0.033341 -1 54.4980000 71.1590000 42.6210000 L H-HC-0.010208 -1 54.7290000 70.3120000 41.9760000 L H-HC-0.010208 -1 54.8970000 70.9660000 43.6170000 L C-CT--0.047841 -1 52.9720000 71.2560000 42.7320000 L H-HC-0.070715 -1 52.7120000 71.9540000 43.5280000 L H-HC-0.070715 -1 52.5660000 71.6390000 41.7940000 L C-CT--0.069974 -1 52.3420000 69.8760000 43.0100000 L H-HP-0.119522 -1 51.2720000 70.0100000 43.1790000 L H-HP-0.119522 -1 52.4700000 69.2490000 42.1260000 L N-N3--0.250358 -1 52.9330000 69.1770000 44.1780000 L H-H-0.294561 -1 52.5070000 68.2640000 44.3250000 L H-H-0.294561 -1 53.9240000 69.0030000 44.0440000 L H-H-0.294561 -1 52.8040000 69.7150000 45.0350000 L C-C-0.725129 -1 57.2940000 70.9670000 41.7580000 L O-O--0.563157 -1 57.5630000 70.7280000 40.5830000 L N-N--0.423392 -1 57.4190000 70.0620000 42.7280000 L H-H-0.306811 -1 57.1560000 70.3410000 43.6690000 L C-CT-0.031633 -1 57.6960000 68.6420000 42.5440000 L H-H1-0.065100 -1 58.1000000 68.4790000 41.5470000 L C-CT-0.074772 -1 58.7580000 68.2270000 43.5750000 L H-HC--0.003535 -1 59.5850000 68.9390000 43.5260000 L H-HC--0.003535 -1 58.3270000 68.2780000 44.5760000 L C-CT--0.033909 -1 59.3320000 66.8280000 43.3370000 L H-HC--0.004135 -1 58.5420000 66.0820000 43.4300000 L H-HC--0.004135 -1 59.7460000 66.7740000 42.3290000 L C-C-0.765188 -1 60.4310000 66.5250000 44.3530000 L O-O2--0.824035 -1 60.1250000 66.3880000 45.5620000 L O-O2--0.824035 -1 61.6140000 66.4200000 43.9560000 L C-C-0.469735 -1 56.3800000 67.8550000 42.6960000 L O-O--0.592528 -1 55.5470000 68.1740000 43.5530000 L N-N--0.487560 -1 56.1890000 66.8430000 41.8500000 L H-H-0.263521 -1 56.9490000 66.6200000 41.2160000 L C-CT-0.009614 -1 54.9210000 66.1410000 41.6090000 L H-H1-0.095501 -1 54.1690000 66.4730000 42.3250000 L C-CT--0.051853 -1 54.4250000 66.4590000 40.1790000 L H-HC-0.019145 -1 55.1480000 66.0480000 39.4730000 L H-HC-0.019145 -1 53.4880000 65.9270000 40.0090000 L C-CA-0.112601 -1 54.1990000 67.9170000 39.8140000 L C-CA--0.183461 -1 55.2790000 68.7030000 39.3690000 L H-HA-0.132715 -1 56.2720000 68.2780000 39.3250000 L C-CA--0.181823 -1 55.0740000 70.0360000 38.9750000 L H-HA-0.137303 -1 55.9090000 70.6350000 38.6500000 L C-C-0.206277 -1 53.7820000 70.5980000 39.0130000 L O-OH--0.421233 -1 53.6090000 71.9000000 38.6530000 L H-HO-0.329691 -1 54.4470000 72.3180000 38.4320000 L C-CA--0.181823 -1 52.6890000 69.8070000 39.4350000 L H-HA-0.137303 -1 51.6950000 70.2320000 39.4470000 L C-CA--0.183461 -1 52.9010000 68.4700000 39.8330000 L H-HA-0.132715 -1 52.0620000 67.8600000 40.1400000 L C-C-0.622290 -1 55.0670000 64.6120000 41.7370000 L O-O--0.526607 -1 56.1730000 64.0640000 41.7240000 L N-N--0.430106 -1 53.9310000 63.9090000 41.7680000 L H-H-0.254543 -1 53.0610000 64.4240000 41.8520000 L C-CT-0.044609 -1 53.8430000 62.4510000 41.6020000 L H-H1-0.059601 -1 54.7130000 62.1390000 41.0220000 L C-CT--0.093650 -1 53.9220000 61.7660000 42.9790000 L H-HC-0.043321 -1 54.4630000 62.4020000 43.6790000 L H-HC-0.043321 -1 52.9210000 61.6030000 43.3790000 L C-C-0.583519 -1 54.6780000 60.4460000 42.8860000 L O-O--0.526813 -1 55.9030000 60.4190000 42.9410000 L N-N--0.781735 -1 53.9960000 59.3300000 42.7200000 L H-H-0.355079 -1 54.5110000 58.4630000 42.6110000 L H-H-0.355079 -1 52.9790000 59.3600000 42.6780000 L C-C-0.617141 -1 52.6010000 62.0220000 40.7810000 L O-O--0.523909 -1 52.1860000 60.8670000 40.8110000 L N-N--0.541430 -1 51.9940000 62.9490000 40.0350000 L H-H-0.345415 -1 52.3910000 63.8760000 40.0000000 L C-CT-0.118140 -1 50.8070000 62.7360000 39.2010000 L H-H1-0.142177 -1 50.6920000 61.6740000 38.9760000 L C-CT-0.146998 -1 49.5460000 63.2240000 39.9430000 L H-H1-0.040081 -1 48.6590000 62.8370000 39.4370000 L H-H1-0.040081 -1 49.5590000 62.8270000 40.9590000 L O-OH--0.640312 -1 49.4590000 64.6470000 39.9980000 L H-HO-0.446255 -1 49.1230000 64.9790000 39.1410000 L C-C-0.483424 -1 50.9280000 63.5050000 37.8790000 L O-O--0.580829 -1 51.7620000 64.4020000 37.7420000 L N-N--0.435921 -1 50.0440000 63.2210000 36.9220000 L H-H-0.290077 -1 49.3850000 62.4680000 37.0660000 L C-CT--0.030547 -1 49.8040000 64.1200000 35.7870000 L H-H1-0.132146 -1 50.7640000 64.4130000 35.3590000 L C-CT--0.033006 -1 49.0280000 63.3320000 34.7280000 L H-H1-0.078951 -1 48.0570000 63.0430000 35.1330000 L H-H1-0.078951 -1 48.8640000 63.9630000 33.8530000 L S-S--0.132272 -1 49.9010000 61.8330000 34.1950000 L C-C-0.624788 -1 49.0890000 65.4170000 36.2340000 L O-O--0.573167 -1 48.6240000 65.5070000 37.3780000 L N-N--0.245382 -1 49.0030000 66.4220000 35.3480000 L H-H-0.255339 -1 49.4090000 66.2860000 34.4270000 L C-CT--0.271249 -1 48.4600000 67.7640000 35.6480000 L H-H1-0.163757 -1 47.7030000 67.6690000 36.4250000 L C-CT-0.237868 -1 49.5900000 68.6550000 36.1960000 L H-H1-0.044688 -1 50.0270000 68.1760000 37.0750000 L C-CT--0.176489 -1 50.7100000 68.9220000 35.1850000 L H-HC-0.060019 -1 50.3150000 69.4260000 34.3030000 L H-HC-0.060019 -1 51.4730000 69.5530000 35.6430000 L H-HC-0.060019 -1 51.1750000 67.9850000 34.8790000 L O-OH--0.601931 -1 49.0700000 69.9080000 36.5770000 L H-HO-0.405484 -1 48.8480000 69.8880000 37.5310000 L C-C-0.559878 -1 47.7780000 68.3910000 34.4290000 L O-O--0.552020 -1 48.0440000 68.0040000 33.2950000 L N-N--0.558201 -1 46.9110000 69.3750000 34.6780000 L H-H-0.319676 -1 46.7120000 69.5870000 35.6490000 L C-CT-0.007225 -1 46.2560000 70.2450000 33.6870000 L H-H1-0.082375 -1 46.2560000 69.7420000 32.7190000 L C-CT--0.047555 -1 44.7900000 70.4760000 34.1110000 L H-HC--0.014836 -1 44.2610000 70.9870000 33.3050000 L H-HC--0.014836 -1 44.3070000 69.5090000 34.2570000 L C-C-0.745168 -1 44.6630000 71.2950000 35.4030000 L O-O2--0.730385 -1 44.2200000 72.4670000 35.3600000 L O-O2--0.730385 -1 45.0100000 70.7440000 36.4740000 L C-C-0.443199 -1 46.9750000 71.5990000 33.5040000 L O-O--0.501445 -1 46.4630000 72.4770000 32.8050000 L N-N--0.245382 -1 48.1360000 71.7870000 34.1530000 L H-H-0.255339 -1 48.4650000 71.0080000 34.7120000 L C-CT--0.271249 -1 48.9050000 73.0470000 34.1920000 L H-H1-0.163757 -1 48.2980000 73.7950000 34.7030000 L C-CT-0.237868 -1 50.2000000 72.8870000 35.0020000 L H-H1-0.044688 -1 50.8400000 72.1320000 34.5410000 L C-CT--0.176489 -1 50.9730000 74.2010000 35.1300000 L H-HC-0.060019 -1 51.3310000 74.5270000 34.1530000 L H-HC-0.060019 -1 50.3320000 74.9750000 35.5540000 L H-HC-0.060019 -1 51.8350000 74.0550000 35.7820000 L O-OH--0.601931 -1 49.8760000 72.4940000 36.3150000 L H-HO-0.405484 -1 49.5820000 71.5660000 36.2910000 L C-C-0.559878 -1 49.1980000 73.5650000 32.7840000 L O-O--0.552020 -1 50.0200000 72.9990000 32.0620000 L N-N--0.374282 -1 48.5110000 74.6350000 32.3810000 L H-H-0.253981 -1 47.7980000 75.0080000 32.9980000 L C-CT--0.128844 -1 48.6850000 75.2850000 31.0790000 L H-HC-0.088859 -1 48.2910000 76.2970000 31.1480000 L H-HC-0.088859 -1 49.7430000 75.3290000 30.8340000 L C-C-0.580584 -1 47.9570000 74.6100000 29.9170000 L O-O--0.509157 -1 48.2700000 74.9070000 28.7640000 L N-N--0.300879 -1 46.9630000 73.7560000 30.1910000 L H-H-0.233693 -1 46.7850000 73.5480000 31.1690000 L C-CT--0.131381 -1 46.0990000 73.1010000 29.1980000 L H-H1-0.053266 -1 46.2410000 73.5830000 28.2340000 L C-CT-0.036707 -1 46.4660000 71.6110000 29.0290000 L H-HC-0.028012 -1 46.4290000 71.1270000 30.0070000 L H-HC-0.028012 -1 45.7160000 71.1310000 28.3980000 L C-CT-0.012454 -1 47.8490000 71.3510000 28.4050000 L H-HC-0.002964 -1 48.6150000 71.7740000 29.0570000 L H-HC-0.002964 -1 48.0160000 70.2740000 28.3680000 L C-CT-0.126329 -1 48.0560000 71.9120000 26.9890000 L H-H1-0.068148 -1 47.9570000 72.9950000 27.0100000 L H-H1-0.068148 -1 49.0770000 71.6830000 26.7020000 L N-N2--0.464890 -1 47.1130000 71.3600000 25.9970000 L H-H-0.326274 -1 46.1280000 71.5520000 26.1660000 L C-CA-0.565543 -1 47.3940000 70.7280000 24.8600000 L N-N2--0.685774 -1 48.6200000 70.5270000 24.4250000 L H-H-0.391052 -1 49.4170000 70.9480000 24.8920000 L H-H-0.391052 -1 48.7680000 69.9700000 23.5940000 L N-N2--0.685774 -1 46.4030000 70.2750000 24.1260000 L H-H-0.391052 -1 45.4480000 70.4510000 24.4300000 L H-H-0.391052 -1 46.5690000 69.8260000 23.2360000 L C-C-0.730308 -1 44.6180000 73.3090000 29.5470000 L O-O--0.578332 -1 43.8900000 72.3690000 29.8560000 L N-N--0.541430 -1 44.1480000 74.5570000 29.4750000 L H-H-0.345415 -1 44.7760000 75.2920000 29.1590000 L C-CT-0.118140 -1 42.7340000 74.9210000 29.6960000 L H-H1-0.142177 -1 42.4090000 74.4690000 30.6360000 L C-CT-0.146998 -1 42.6000000 76.4470000 29.8510000 L H-H1-0.040081 -1 41.5680000 76.6950000 30.1040000 L H-H1-0.040081 -1 43.2350000 76.7680000 30.6780000 L O-OH--0.640312 -1 42.9780000 77.1540000 28.6750000 L H-HO-0.446255 -1 42.2760000 77.0420000 28.0080000 L C-C-0.483424 -1 41.7690000 74.3950000 28.6080000 L O-O--0.580829 -1 40.5800000 74.7140000 28.6090000 L N-N--0.558201 -1 42.2690000 73.6260000 27.6410000 L H-H-0.319676 -1 43.2730000 73.4880000 27.6280000 L C-CT-0.007225 -1 41.5210000 72.8200000 26.6700000 L H-H1-0.082375 -1 40.5750000 73.3120000 26.4390000 L C-CT--0.047555 -1 42.3640000 72.7620000 25.3900000 L H-HC--0.014836 -1 41.7960000 72.2570000 24.6090000 L H-HC--0.014836 -1 42.5580000 73.7800000 25.0580000 L C-C-0.745168 -1 43.7050000 72.0570000 25.6020000 L O-O2--0.730385 -1 44.5910000 72.6390000 26.2740000 L O-O2--0.730385 -1 43.8650000 70.9260000 25.0900000 L C-C-0.443199 -1 41.2040000 71.3930000 27.1750000 L O-O--0.501445 -1 40.4630000 70.6540000 26.5200000 L N-N--0.374282 -1 41.7550000 71.0120000 28.3370000 L H-H-0.253981 -1 42.3750000 71.6750000 28.7920000 L C-CT--0.128844 -1 41.4550000 69.7850000 29.0850000 L H-HC-0.088859 -1 41.3190000 70.0540000 30.1330000 L H-HC-0.088859 -1 40.5360000 69.3340000 28.7110000 L C-C-0.580584 -1 42.5500000 68.7150000 29.0500000 L O-O--0.509157 -1 42.5520000 67.8460000 29.9230000 L N-N--0.371290 -1 43.4660000 68.7440000 28.0730000 L H-H-0.234053 -1 43.4250000 69.5010000 27.4040000 L C-CT--0.030057 -1 44.4420000 67.6690000 27.8440000 L H-H1-0.102448 -1 43.8680000 66.7430000 27.8000000 L C-CT--0.098720 -1 45.1260000 67.8540000 26.4720000 L H-HC-0.060989 -1 44.5190000 68.5360000 25.8780000 L H-HC-0.060989 -1 46.0990000 68.3300000 26.5990000 L C-CA-0.021313 -1 45.3030000 66.5880000 25.6410000 L C-CA--0.083109 -1 45.5220000 65.3270000 26.2380000 L H-HA-0.098466 -1 45.6190000 65.2290000 27.3090000 L C-CA--0.156974 -1 45.6090000 64.1710000 25.4420000 L H-HA-0.123731 -1 45.7580000 63.2060000 25.9100000 L C-CA--0.099824 -1 45.5130000 64.2670000 24.0440000 L H-HA-0.114679 -1 45.5750000 63.3790000 23.4320000 L C-CA--0.156974 -1 45.3330000 65.5230000 23.4410000 L H-HA-0.123731 -1 45.2630000 65.6000000 22.3650000 L C-CA--0.083109 -1 45.2210000 66.6760000 24.2370000 L H-HA-0.098466 -1 45.0600000 67.6340000 23.7640000 L C-C-0.547987 -1 45.4620000 67.5360000 28.9950000 L O-O--0.506795 -1 46.3350000 68.3850000 29.1690000 L N-N--0.355153 -1 45.3410000 66.4660000 29.7890000 L H-H-0.262417 -1 44.5930000 65.8180000 29.6010000 L C-CT--0.101497 -1 46.2300000 66.1590000 30.9150000 L H-H1-0.136951 -1 46.3930000 67.0790000 31.4790000 L C-CT--0.144399 -1 45.5070000 65.1180000 31.8030000 L H-HC-0.052533 -1 44.4260000 65.2440000 31.7180000 L H-HC-0.052533 -1 45.7410000 64.1220000 31.4260000 L C-CT-0.191982 -1 45.8720000 65.2140000 33.2970000 L H-HC-0.000825 -1 46.9480000 65.3580000 33.3960000 L C-CT--0.123036 -1 45.1380000 66.3870000 33.9640000 L H-HC-0.022376 -1 45.5000000 66.5160000 34.9830000 L H-HC-0.022376 -1 45.3140000 67.3080000 33.4110000 L H-HC-0.022376 -1 44.0650000 66.1960000 33.9880000 L C-CT--0.123036 -1 45.4870000 63.9220000 34.0290000 L H-HC-0.022376 -1 46.0390000 63.0840000 33.6090000 L H-HC-0.022376 -1 45.7320000 64.0060000 35.0890000 L H-HC-0.022376 -1 44.4180000 63.7320000 33.9230000 L C-C-0.573471 -1 47.6090000 65.6590000 30.4280000 L O-O--0.557847 -1 47.6930000 64.9340000 29.4320000 L N-N--0.427579 -1 48.6880000 66.0260000 31.1340000 L H-H-0.241716 -1 48.5580000 66.6520000 31.9230000 L C-CT--0.020082 -1 50.0710000 65.7660000 30.6990000 L H-H1-0.106629 -1 50.0680000 64.8850000 30.0610000 L C-CT--0.098364 -1 50.5350000 66.9600000 29.8420000 L H-HC-0.065424 -1 51.4540000 66.6920000 29.3250000 L H-HC-0.065424 -1 49.7870000 67.1430000 29.0720000 L C-C*--0.099797 -1 50.7860000 68.2480000 30.5640000 L C-CW--0.174053 -1 49.8710000 69.2190000 30.7840000 L H-H4-0.170633 -1 48.8320000 69.1720000 30.4760000 L N-NA--0.298433 -1 50.4590000 70.2580000 31.4770000 L H-H-0.322375 -1 49.9740000 71.1140000 31.7350000 L C-CN-0.141523 -1 51.7790000 69.9940000 31.7710000 L C-CA--0.210701 -1 52.7690000 70.7090000 32.4610000 L H-HA-0.125512 -1 52.5440000 71.6720000 32.8950000 L C-CA--0.133022 -1 54.0540000 70.1540000 32.5790000 L H-HA-0.119467 -1 54.8260000 70.6890000 33.1150000 L C-CA--0.164054 -1 54.3350000 68.9090000 31.9870000 L H-HA-0.119250 -1 55.3250000 68.4840000 32.0650000 L C-CA--0.153992 -1 53.3370000 68.2100000 31.2840000 L H-HA-0.123084 -1 53.5760000 67.2650000 30.8210000 L C-CB-0.089641 -1 52.0270000 68.7240000 31.1730000 L C-C-0.584129 -1 51.0640000 65.4530000 31.8410000 L O-O--0.494730 -1 50.7650000 65.6380000 33.0250000 L N-N--0.435921 -1 52.2560000 64.9620000 31.4730000 L H-H-0.290077 -1 52.4100000 64.8140000 30.4770000 L C-CT--0.030547 -1 53.3470000 64.5360000 32.3690000 L H-H1-0.132146 -1 53.3510000 65.1680000 33.2580000 L C-CT--0.033006 -1 53.0840000 63.0830000 32.7890000 L H-H1-0.078951 -1 53.9100000 62.7280000 33.4070000 L H-H1-0.078951 -1 52.1860000 63.0660000 33.4020000 L S-S--0.132272 -1 52.8560000 61.9160000 31.4150000 L C-C-0.624788 -1 54.7410000 64.6300000 31.7120000 L O-O--0.573167 -1 54.8650000 64.6380000 30.4900000 L N-N--0.541430 -1 55.8080000 64.6770000 32.5140000 L H-H-0.345415 -1 55.6620000 64.6060000 33.5090000 L C-CT-0.118140 -1 57.2040000 64.6350000 32.0330000 L H-H1-0.142177 -1 57.2890000 65.1430000 31.0730000 L C-CT-0.146998 -1 58.0920000 65.3810000 33.0350000 L H-H1-0.040081 -1 57.6440000 66.3510000 33.2550000 L H-H1-0.040081 -1 58.1700000 64.8040000 33.9570000 L O-OH--0.640312 -1 59.3780000 65.5970000 32.4950000 L H-HO-0.446255 -1 60.0520000 65.1980000 33.0910000 L C-C-0.483424 -1 57.7250000 63.1910000 31.8790000 L O-O--0.580829 -1 57.2640000 62.2970000 32.5950000 L N-N--0.245382 -1 58.7370000 62.9620000 31.0240000 L H-H-0.255339 -1 59.0810000 63.7350000 30.4580000 L C-CT--0.271249 -1 59.3840000 61.6430000 30.8200000 L H-H1-0.163757 -1 58.8450000 60.8970000 31.4030000 L C-CT-0.237868 -1 59.3000000 61.1940000 29.3550000 L H-H1-0.044688 -1 59.8450000 60.2550000 29.2390000 L C-CT--0.176489 -1 57.8550000 60.9760000 28.9000000 L H-HC-0.060019 -1 57.2990000 61.9120000 28.9330000 L H-HC-0.060019 -1 57.8510000 60.5940000 27.8800000 L H-HC-0.060019 -1 57.3720000 60.2470000 29.5510000 L O-OH--0.601931 -1 59.8730000 62.1700000 28.5230000 L H-HO-0.405484 -1 60.1170000 61.7320000 27.6830000 L C-C-0.559878 -1 60.8240000 61.5720000 31.3450000 L O-O--0.552020 -1 61.3880000 60.4770000 31.3970000 L N-N--0.245382 -1 61.3780000 62.6960000 31.8170000 L H-H-0.255339 -1 60.8590000 63.5500000 31.6760000 L C-CT--0.271249 -1 62.5700000 62.7930000 32.6850000 L H-H1-0.163757 -1 62.8030000 61.8040000 33.0800000 L C-CT-0.237868 -1 63.8030000 63.3030000 31.9160000 L H-H1-0.044688 -1 64.6100000 63.5010000 32.6240000 L C-CT--0.176489 -1 64.3010000 62.2660000 30.9090000 L H-HC-0.060019 -1 63.5430000 62.0850000 30.1460000 L H-HC-0.060019 -1 65.2070000 62.6330000 30.4290000 L H-HC-0.060019 -1 64.5270000 61.3310000 31.4210000 L O-OH--0.601931 -1 63.5300000 64.4830000 31.1900000 L H-HO-0.405484 -1 63.3510000 65.2120000 31.8080000 L C-C-0.559878 -1 62.2430000 63.6760000 33.8890000 L O-O--0.552020 -1 61.2560000 64.4110000 33.8510000 L N-N--0.487560 -1 63.0480000 63.6340000 34.9580000 L H-H-0.263521 -1 63.8520000 63.0210000 34.9480000 L C-CT-0.009614 -1 62.7440000 64.3610000 36.2080000 L H-H1-0.095501 -1 61.8160000 63.9530000 36.6110000 L C-CT--0.051853 -1 63.8440000 64.1190000 37.2520000 L H-HC-0.019145 -1 63.8560000 63.0600000 37.5130000 L H-HC-0.019145 -1 64.8110000 64.3620000 36.8090000 L C-CA-0.112601 -1 63.6690000 64.9410000 38.5220000 L C-CA--0.183461 -1 62.7820000 64.5230000 39.5350000 L H-HA-0.132715 -1 62.2370000 63.5950000 39.4230000 L C-CA--0.181823 -1 62.5960000 65.3100000 40.6910000 L H-HA-0.137303 -1 61.9150000 64.9850000 41.4660000 L C-C-0.206277 -1 63.3030000 66.5260000 40.8410000 L O-OH--0.421233 -1 63.1410000 67.3000000 41.9510000 L H-HO-0.329691 -1 62.5440000 66.9030000 42.6140000 L C-CA--0.181823 -1 64.2000000 66.9370000 39.8310000 L H-HA-0.137303 -1 64.7510000 67.8600000 39.9440000 L C-CA--0.183461 -1 64.3770000 66.1500000 38.6770000 L H-HA-0.132715 -1 65.0590000 66.4810000 37.9050000 L C-C-0.622290 -1 62.5020000 65.8710000 36.0100000 L O-O--0.526607 -1 61.6810000 66.4600000 36.7070000 L N-N--0.430106 -1 63.1420000 66.4850000 35.0160000 L H-H-0.254543 -1 63.8230000 65.9510000 34.4920000 L C-CT-0.044609 -1 62.7940000 67.8120000 34.5130000 L H-H1-0.059601 -1 61.7580000 68.0360000 34.7730000 L C-CT--0.093650 -1 63.7030000 68.8390000 35.2040000 L H-HC-0.043321 -1 63.6830000 68.6650000 36.2810000 L H-HC-0.043321 -1 64.7290000 68.6990000 34.8630000 L C-C-0.583519 -1 63.2950000 70.2820000 34.9420000 L O-O--0.526813 -1 63.6410000 70.8700000 33.9290000 L N-N--0.781735 -1 62.5490000 70.9020000 35.8330000 L H-H-0.355079 -1 62.3090000 71.8790000 35.6650000 L H-H-0.355079 -1 62.0510000 70.3630000 36.5280000 L C-C-0.617141 -1 62.9080000 67.8280000 32.9770000 L O-O--0.523909 -1 63.5380000 66.9470000 32.3870000 L N-N--0.371290 -1 62.2810000 68.8090000 32.3240000 L H-H-0.234053 -1 61.7510000 69.4750000 32.8650000 L C-CT--0.030057 -1 62.2460000 68.9380000 30.8620000 L H-H1-0.102448 -1 63.1340000 68.4590000 30.4460000 L C-CT--0.098720 -1 61.0000000 68.2000000 30.3380000 L H-HC-0.060989 -1 61.1170000 68.0600000 29.2650000 L H-HC-0.060989 -1 60.9460000 67.2040000 30.7810000 L C-CA-0.021313 -1 59.6920000 68.9330000 30.5830000 L C-CA--0.083109 -1 59.1380000 69.7400000 29.5700000 L H-HA-0.098466 -1 59.6260000 69.8180000 28.6100000 L C-CA--0.156974 -1 57.9610000 70.4680000 29.8080000 L H-HA-0.123731 -1 57.5430000 71.0930000 29.0300000 L C-CA--0.099824 -1 57.3310000 70.3910000 31.0590000 L H-HA-0.114679 -1 56.4320000 70.9620000 31.2410000 L C-CA--0.156974 -1 57.8740000 69.5800000 32.0710000 L H-HA-0.123731 -1 57.3880000 69.5190000 33.0330000 L C-CA--0.083109 -1 59.0520000 68.8520000 31.8340000 L H-HA-0.098466 -1 59.4700000 68.2390000 32.6190000 L C-C-0.547987 -1 62.2580000 70.3990000 30.3710000 L O-O--0.506795 -1 62.1200000 70.6300000 29.1690000 L N-N--0.423392 -1 62.3900000 71.3760000 31.2770000 L H-H-0.306811 -1 62.6730000 71.1150000 32.2140000 L C-CT-0.031633 -1 62.1480000 72.8070000 31.0310000 L H-H1-0.065100 -1 61.1270000 72.9060000 30.6560000 L C-CT-0.074772 -1 62.2300000 73.5810000 32.3640000 L H-HC--0.003535 -1 63.1930000 73.3960000 32.8380000 L H-HC--0.003535 -1 62.1490000 74.6480000 32.1660000 L C-CT--0.033909 -1 61.0940000 73.1920000 33.3220000 L H-HC--0.004135 -1 60.1450000 73.3880000 32.8230000 L H-HC--0.004135 -1 61.1440000 72.1270000 33.5510000 L C-C-0.765188 -1 61.1370000 73.9800000 34.6300000 L O-O2--0.824035 -1 60.2950000 74.8850000 34.8160000 L O-O2--0.824035 -1 61.9870000 73.6840000 35.5030000 L C-C-0.469735 -1 63.0580000 73.4370000 29.9540000 L O-O--0.592528 -1 62.7550000 74.5240000 29.4580000 L N-N--0.435875 -1 64.1230000 72.7450000 29.5360000 L H-H-0.251302 -1 64.3440000 71.8890000 30.0360000 L C-CT--0.038773 -1 65.0440000 73.1370000 28.4590000 L H-H1-0.129478 -1 64.6120000 73.9740000 27.9080000 L C-CT--0.108273 -1 66.3780000 73.5970000 29.0860000 L H-HC-0.045214 -1 66.8870000 72.7350000 29.5200000 L H-HC-0.045214 -1 67.0120000 73.9980000 28.2960000 L C-CT-0.033341 -1 66.2050000 74.6670000 30.1780000 L H-HC-0.010208 -1 65.5460000 75.4480000 29.8050000 L H-HC-0.010208 -1 65.7380000 74.2130000 31.0520000 L C-CT--0.047841 -1 67.5420000 75.2790000 30.6190000 L H-HC-0.070715 -1 67.4150000 75.7570000 31.5920000 L H-HC-0.070715 -1 68.2810000 74.4830000 30.7340000 L C-CT--0.069974 -1 68.0600000 76.3120000 29.6100000 L H-HP-0.119522 -1 69.1190000 76.5010000 29.8130000 L H-HP-0.119522 -1 67.9830000 75.9050000 28.5990000 L N-N3--0.250358 -1 67.3200000 77.5930000 29.7090000 L H-H-0.294561 -1 66.3140000 77.4580000 29.7590000 L H-H-0.294561 -1 67.5760000 78.0680000 30.5690000 L H-H-0.294561 -1 67.5600000 78.2150000 28.9480000 L C-C-0.725129 -1 65.2720000 72.0090000 27.4240000 L O-O--0.563157 -1 66.1180000 72.1420000 26.5340000 L N-N--0.558201 -1 64.5390000 70.8960000 27.5330000 L H-H-0.319676 -1 63.8310000 70.8960000 28.2560000 L C-CT-0.007225 -1 64.8490000 69.6150000 26.8760000 L H-H1-0.082375 -1 65.6080000 69.7890000 26.1160000 L C-CT--0.047555 -1 65.4600000 68.6920000 27.9470000 L H-HC--0.014836 -1 66.1920000 69.2600000 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60.7630000 22.7020000 L C-CT--0.020264 -1 31.5900000 60.9630000 20.5740000 L H-HC-0.030791 -1 32.2010000 60.7680000 19.6930000 L H-HC-0.030791 -1 30.6500000 60.4250000 20.4570000 L C-C-0.667812 -1 31.2740000 62.4570000 20.6580000 L O-O--0.628483 -1 31.8850000 63.2840000 19.9950000 L N-N--0.883393 -1 30.3370000 62.8770000 21.4780000 L H-H-0.408312 -1 30.0710000 63.8500000 21.4580000 L H-H-0.408312 -1 29.8160000 62.2360000 22.0700000 L C-C-0.418577 -1 34.1740000 60.6560000 23.4630000 L O-O--0.565310 -1 34.6050000 59.5620000 23.8330000 L N-N--0.088116 -1 33.9900000 61.6730000 24.3300000 L C-CT--0.011906 -1 33.5940000 63.0320000 23.9810000 L H-H1-0.043951 -1 32.6960000 63.0440000 23.3620000 L H-H1-0.043950 -1 34.4170000 63.5250000 23.4630000 L C-CT-0.013059 -1 33.3220000 63.7460000 25.3000000 L H-HC-0.019574 -1 32.2750000 63.6100000 25.5710000 L H-HC-0.019574 -1 33.5710000 64.8070000 25.2470000 L C-CT--0.003351 -1 34.2170000 62.9980000 26.2850000 L H-HC-0.019352 -1 33.8460000 63.0800000 27.3060000 L H-HC-0.019352 -1 35.2300000 63.3930000 26.2180000 L C-CT--0.034577 -1 34.1960000 61.5550000 25.7740000 L H-H1-0.059977 -1 35.1560000 61.0830000 25.9860000 L C-C-0.333720 -1 33.0820000 60.7490000 26.4630000 L O-O--0.434559 -1 31.9910000 60.5650000 25.9220000 L N-N--0.435921 -1 33.3390000 60.3030000 27.6970000 L H-H-0.290077 -1 34.2690000 60.4620000 28.0850000 L C-CT--0.030547 -1 32.3610000 59.6310000 28.5610000 L H-H1-0.132146 -1 31.7110000 59.0400000 27.9240000 L C-CT--0.033006 -1 33.1100000 58.6550000 29.4810000 L H-H1-0.078951 -1 33.9440000 58.2250000 28.9230000 L H-H1-0.078951 -1 33.5310000 59.2050000 30.3240000 L S-S--0.132272 -1 32.1070000 57.2750000 30.1010000 L C-C-0.624788 -1 31.4600000 60.6120000 29.3480000 L O-O--0.573167 -1 31.6550000 61.8300000 29.3290000 L N-N--0.435875 -1 30.4540000 60.0870000 30.0520000 L H-H-0.251302 -1 30.3810000 59.0810000 30.1100000 L C-CT--0.038773 -1 29.4750000 60.8440000 30.8480000 L H-H1-0.129478 -1 29.9150000 61.7860000 31.1810000 L C-CT--0.108273 -1 28.2560000 61.1470000 29.9510000 L H-HC-0.045214 -1 28.6000000 61.7100000 29.0830000 L H-HC-0.045214 -1 27.8250000 60.2060000 29.6000000 L C-CT-0.033341 -1 27.1570000 61.9620000 30.6560000 L H-HC-0.010208 -1 26.7220000 61.3730000 31.4640000 L H-HC-0.010208 -1 27.5940000 62.8710000 31.0710000 L C-CT--0.047841 -1 26.0370000 62.3430000 29.6810000 L H-HC-0.070715 -1 26.4580000 62.9370000 28.8670000 L H-HC-0.070715 -1 25.5920000 61.4360000 29.2660000 L C-CT--0.069974 -1 24.9610000 63.1610000 30.4040000 L H-HP-0.119522 -1 24.5110000 62.5530000 31.1960000 L H-HP-0.119522 -1 25.4340000 64.0300000 30.8690000 L N-N3--0.250358 -1 23.9130000 63.6230000 29.4670000 L H-H-0.294561 -1 24.3180000 64.1620000 28.7070000 L H-H-0.294561 -1 23.3930000 62.8420000 29.0730000 L H-H-0.294561 -1 23.2250000 64.2020000 29.9390000 L C-C-0.725129 -1 29.0770000 60.0450000 32.1020000 L O-O--0.563157 -1 29.0690000 58.8160000 32.0620000 L N-N--0.371290 -1 28.7260000 60.7480000 33.1840000 L H-H-0.234053 -1 28.7570000 61.7560000 33.1360000 L C-CT--0.030057 -1 28.2770000 60.1660000 34.4520000 L H-H1-0.102448 -1 27.8980000 59.1620000 34.2640000 L C-CT--0.098720 -1 29.4760000 60.0620000 35.4130000 L H-HC-0.060989 -1 29.8400000 61.0660000 35.6390000 L H-HC-0.060989 -1 29.1370000 59.6290000 36.3550000 L C-CA-0.021313 -1 30.6380000 59.2280000 34.9030000 L C-CA--0.083109 -1 30.6200000 57.8280000 35.0480000 L H-HA-0.098466 -1 29.7790000 57.3420000 35.5190000 L C-CA--0.156974 -1 31.7030000 57.0600000 34.5870000 L H-HA-0.123731 -1 31.6990000 55.9890000 34.7270000 L C-CA--0.099824 -1 32.8060000 57.6850000 33.9790000 L H-HA-0.114679 -1 33.6460000 57.0940000 33.6460000 L C-CA--0.156974 -1 32.8220000 59.0810000 33.8230000 L H-HA-0.123731 -1 33.6730000 59.5680000 33.3680000 L C-CA--0.083109 -1 31.7390000 59.8500000 34.2840000 L H-HA-0.098466 -1 31.7620000 60.9250000 34.1720000 L C-C-0.547987 -1 27.1710000 61.0390000 35.0890000 L O-O--0.506795 -1 27.1870000 62.2560000 34.8800000 L N-N--0.088116 -1 26.2600000 60.4690000 35.9040000 L C-CT--0.011906 -1 25.3600000 61.2180000 36.7600000 L H-H1-0.043951 -1 24.4840000 61.5290000 36.1880000 L H-H1-0.043950 -1 25.8610000 62.0820000 37.1870000 L C-CT-0.013059 -1 24.9530000 60.2420000 37.8590000 L H-HC-0.019574 -1 23.9870000 60.4990000 38.2960000 L H-HC-0.019574 -1 25.7290000 60.2100000 38.6250000 L C-CT--0.003351 -1 24.9120000 58.9070000 37.1220000 L H-HC-0.019352 -1 23.9250000 58.7820000 36.6710000 L H-HC-0.019352 -1 25.1260000 58.0730000 37.7920000 L C-CT--0.034577 -1 25.9850000 59.0420000 36.0310000 L H-H1-0.059977 -1 26.8950000 58.5480000 36.3550000 L C-C-0.333720 -1 25.4810000 58.4330000 34.7170000 L O-O--0.434559 -1 25.0090000 59.1600000 33.8380000 L N-N--0.371290 -1 25.5270000 57.1010000 34.6140000 L H-H-0.234053 -1 25.9650000 56.5650000 35.3560000 L C-CT--0.030057 -1 24.8450000 56.3590000 33.5500000 L H-H1-0.102448 -1 23.9920000 56.9610000 33.2330000 L C-CT--0.098720 -1 25.7680000 56.1940000 32.3290000 L H-HC-0.060989 -1 25.1490000 55.9190000 31.4750000 L H-HC-0.060989 -1 26.2080000 57.1640000 32.0960000 L C-CA-0.021313 -1 26.8870000 55.1710000 32.4290000 L C-CA--0.083109 -1 26.6580000 53.8360000 32.0430000 L H-HA-0.098466 -1 25.6740000 53.5260000 31.7200000 L C-CA--0.156974 -1 27.7080000 52.9020000 32.0670000 L H-HA-0.123731 -1 27.5210000 51.8770000 31.7840000 L C-CA--0.099824 -1 28.9980000 53.2980000 32.4610000 L H-HA-0.114679 -1 29.8020000 52.5760000 32.4840000 L C-CA--0.156974 -1 29.2320000 54.6320000 32.8400000 L H-HA-0.123731 -1 30.2180000 54.9420000 33.1530000 L C-CA--0.083109 -1 28.1780000 55.5630000 32.8340000 L H-HA-0.098466 -1 28.3620000 56.5850000 33.1310000 L C-C-0.547987 -1 24.2760000 55.0190000 34.0380000 L O-O--0.506795 -1 24.8220000 54.3860000 34.9480000 L N-N--0.300879 -1 23.1800000 54.5830000 33.4040000 L H-H-0.233693 -1 22.7990000 55.1700000 32.6690000 L C-CT--0.131381 -1 22.4440000 53.3570000 33.7460000 L H-H1-0.053266 -1 22.7650000 53.0140000 34.7300000 L C-CT-0.036707 -1 20.9380000 53.6620000 33.8330000 L H-HC-0.028012 -1 20.6110000 54.1980000 32.9400000 L H-HC-0.028012 -1 20.3900000 52.7210000 33.8890000 L C-CT-0.012454 -1 20.6130000 54.4820000 35.0910000 L H-HC-0.002964 -1 21.0230000 53.9700000 35.9620000 L H-HC-0.002964 -1 21.0720000 55.4670000 35.0180000 L C-CT-0.126329 -1 19.1010000 54.6370000 35.2790000 L H-H1-0.068148 -1 18.7030000 55.2510000 34.4720000 L H-H1-0.068148 -1 18.6430000 53.6470000 35.2250000 L N-N2--0.464890 -1 18.7870000 55.2550000 36.5790000 L H-H-0.326274 -1 19.5140000 55.8140000 37.0080000 L C-CA-0.565543 -1 17.7170000 55.0090000 37.3250000 L N-N2--0.685774 -1 16.6960000 54.2940000 36.9080000 L H-H-0.391052 -1 16.6060000 54.0380000 35.9320000 L H-H-0.391052 -1 15.9500000 54.0930000 37.5680000 L N-N2--0.685774 -1 17.6440000 55.4890000 38.5410000 L H-H-0.391052 -1 18.3720000 56.1010000 38.8980000 L H-H-0.391052 -1 16.8520000 55.2500000 39.1250000 L C-C-0.730308 -1 22.7310000 52.2110000 32.7670000 L O-O--0.578332 -1 23.1190000 52.4320000 31.6180000 L N-N--0.371290 -1 22.5580000 50.9770000 33.2490000 L H-H-0.234053 -1 22.2290000 50.9030000 34.2020000 L C-CT--0.030057 -1 22.9920000 49.7390000 32.5870000 L H-H1-0.102448 -1 22.9880000 49.9030000 31.5090000 L C-CT--0.098720 -1 24.4450000 49.4530000 33.0350000 L H-HC-0.060989 -1 25.0420000 50.3540000 32.8810000 L H-HC-0.060989 -1 24.4480000 49.2480000 34.1060000 L C-CA-0.021313 -1 25.1580000 48.3160000 32.3190000 L C-CA--0.083109 -1 25.4080000 48.3930000 30.9360000 L H-HA-0.098466 -1 25.0910000 49.2590000 30.3780000 L C-CA--0.156974 -1 26.0800000 47.3470000 30.2770000 L H-HA-0.123731 -1 26.2680000 47.4080000 29.2140000 L C-CA--0.099824 -1 26.5150000 46.2240000 31.0010000 L H-HA-0.114679 -1 27.0410000 45.4250000 30.4960000 L C-CA--0.156974 -1 26.2690000 46.1420000 32.3820000 L H-HA-0.123731 -1 26.6010000 45.2790000 32.9430000 L C-CA--0.083109 -1 25.5910000 47.1850000 33.0380000 L H-HA-0.098466 -1 25.4000000 47.1110000 34.0980000 L C-C-0.547987 -1 22.0140000 48.5750000 32.8630000 L O-O--0.506795 -1 22.4310000 47.4380000 33.0690000 L N-N--0.387353 -1 20.7050000 48.8570000 32.9070000 L H-H-0.300605 -1 20.4300000 49.8050000 32.6520000 L C-CT-0.037470 -1 19.5990000 47.9330000 33.2370000 L H-H1-0.152255 -1 18.6840000 48.5300000 33.2350000 L C-CT--0.032112 -1 19.4180000 46.8610000 32.1430000 L H-HC-0.030995 -1 20.3150000 46.2470000 32.0610000 L H-HC-0.030995 -1 18.6030000 46.2020000 32.4450000 L C-CT--0.020264 -1 19.0750000 47.4520000 30.7690000 L H-HC-0.030791 -1 18.3400000 48.2500000 30.8860000 L H-HC-0.030791 -1 19.9740000 47.8760000 30.3210000 L C-C-0.667812 -1 18.4770000 46.3970000 29.8400000 L O-O--0.628483 -1 17.3080000 46.0420000 29.9450000 L N-N--0.883393 -1 19.2430000 45.8450000 28.9260000 L H-H-0.408312 -1 18.8340000 45.1800000 28.2820000 L H-H-0.408312 -1 20.2320000 46.0560000 28.8710000 L C-C-0.418577 -1 19.6150000 47.2840000 34.6370000 L O-O--0.565310 -1 18.5940000 46.7270000 35.0430000 L N-N--0.374282 -1 20.7090000 47.3520000 35.4020000 L H-H-0.253981 -1 21.5580000 47.7090000 34.9820000 L C-CT--0.128844 -1 20.7750000 46.8730000 36.7890000 L H-HC-0.088859 -1 19.7830000 46.8240000 37.2400000 L H-HC-0.088859 -1 21.2000000 45.8710000 36.7960000 L C-C-0.580584 -1 21.6650000 47.7650000 37.6340000 L O-O--0.509157 -1 21.1620000 48.6730000 38.3070000 L N-N--0.245382 -1 22.9830000 47.5640000 37.5330000 L H-H-0.255339 -1 23.3120000 46.7750000 36.9840000 L C-CT--0.271249 -1 24.0050000 48.4870000 38.0450000 L H-H1-0.163757 -1 23.8060000 48.6840000 39.0980000 L C-CT-0.237868 -1 25.4010000 47.8530000 37.9560000 L H-H1-0.044688 -1 26.1600000 48.5990000 38.2010000 L C-CT--0.176489 -1 25.5320000 46.6930000 38.9430000 L H-HC-0.060019 -1 26.5340000 46.2760000 38.8900000 L H-HC-0.060019 -1 25.3600000 47.0590000 39.9530000 L H-HC-0.060019 -1 24.8100000 45.9100000 38.7150000 L O-OH--0.601931 -1 25.6300000 47.3640000 36.6580000 L H-HO-0.405484 -1 26.5430000 47.0440000 36.6230000 L C-C-0.559878 -1 23.9650000 49.8360000 37.3290000 L O-O--0.552020 -1 23.3080000 50.0150000 36.3030000 L N-N--0.541430 -1 24.6450000 50.8100000 37.9110000 L H-H-0.345415 -1 25.1460000 50.5720000 38.7610000 L C-CT-0.118140 -1 24.8580000 52.1640000 37.3880000 L H-H1-0.142177 -1 24.9520000 52.1230000 36.3020000 L C-CT-0.146998 -1 23.6770000 53.0890000 37.7350000 L H-H1-0.040081 -1 23.9020000 54.0980000 37.3870000 L H-H1-0.040081 -1 22.7920000 52.7390000 37.2050000 L O-OH--0.640312 -1 23.3920000 53.1390000 39.1280000 L H-HO-0.446255 -1 22.9630000 52.2860000 39.3700000 L C-C-0.483424 -1 26.1650000 52.7430000 37.9450000 L O-O--0.580829 -1 26.6460000 52.3270000 39.0070000 L N-N--0.487560 -1 26.7600000 53.7020000 37.2340000 L H-H-0.263521 -1 26.3000000 54.0640000 36.4050000 L C-CT-0.009614 -1 28.1390000 54.1290000 37.4860000 L H-H1-0.095501 -1 28.4540000 53.7440000 38.4520000 L C-CT--0.051853 -1 29.0580000 53.5000000 36.4280000 L H-HC-0.019145 -1 28.7560000 53.8560000 35.4440000 L H-HC-0.019145 -1 30.0820000 53.8310000 36.6030000 L C-CA-0.112601 -1 29.0230000 51.9810000 36.4550000 L C-CA--0.183461 -1 29.6470000 51.2860000 37.5090000 L H-HA-0.132715 -1 30.2100000 51.8230000 38.2570000 L C-CA--0.181823 -1 29.5060000 49.8920000 37.6250000 L H-HA-0.137303 -1 29.9500000 49.3700000 38.4610000 L C-C-0.206277 -1 28.7620000 49.1790000 36.6630000 L O-OH--0.421233 -1 28.6040000 47.8360000 36.7880000 L H-HO-0.329691 -1 28.9940000 47.4810000 37.6010000 L C-CA--0.181823 -1 28.1610000 49.8670000 35.5850000 L H-HA-0.137303 -1 27.5840000 49.3150000 34.8580000 L C-CA--0.183461 -1 28.2860000 51.2670000 35.4890000 L H-HA-0.132715 -1 27.7880000 51.7970000 34.6910000 L C-C-0.622290 -1 28.2780000 55.6500000 37.5680000 L O-O--0.526607 -1 27.6480000 56.3890000 36.8150000 L N-N--0.558201 -1 29.1190000 56.0970000 38.5020000 L H-H-0.319676 -1 29.5840000 55.3830000 39.0580000 L C-CT-0.007225 -1 29.1800000 57.4680000 39.0260000 L H-H1-0.082375 -1 28.5790000 58.1200000 38.3910000 L C-CT--0.047555 -1 28.5600000 57.4770000 40.4400000 L H-HC--0.014836 -1 28.4800000 58.5090000 40.7830000 L H-HC--0.014836 -1 27.5470000 57.0760000 40.3800000 L C-C-0.745168 -1 29.3660000 56.6760000 41.4780000 L O-O2--0.730385 -1 30.4850000 57.1080000 41.8510000 L O-O2--0.730385 -1 28.8850000 55.6090000 41.9250000 L C-C-0.443199 -1 30.6060000 58.0490000 39.0550000 L O-O--0.501445 -1 30.7960000 59.1840000 39.4870000 L N-N--0.541430 -1 31.6010000 57.2730000 38.6220000 L H-H-0.345415 -1 31.3440000 56.3980000 38.1850000 L C-CT-0.118140 -1 33.0470000 57.5410000 38.7030000 L H-H1-0.142177 -1 33.2570000 58.6020000 38.5680000 L C-CT-0.146998 -1 33.5670000 57.0920000 40.0800000 L H-H1-0.040081 -1 33.3420000 56.0340000 40.2180000 L H-H1-0.040081 -1 34.6500000 57.2120000 40.1110000 L O-OH--0.640312 -1 32.9970000 57.8360000 41.1480000 L H-HO-0.446255 -1 32.0480000 57.5800000 41.2230000 L C-C-0.483424 -1 33.8090000 56.7530000 37.6180000 L O-O--0.580829 -1 33.2250000 55.8740000 36.9780000 L N-N--0.435921 -1 35.1140000 57.0110000 37.4470000 L H-H-0.290077 -1 35.5410000 57.7220000 38.0360000 L C-CT--0.030547 -1 36.0130000 56.3060000 36.5080000 L H-H1-0.132146 -1 35.8380000 56.7140000 35.5120000 L C-CT--0.033006 -1 37.4670000 56.6200000 36.8840000 L H-H1-0.078951 -1 38.1330000 56.0860000 36.2040000 L H-H1-0.078951 -1 37.6430000 57.6860000 36.7400000 L S-S--0.132272 -1 37.9280000 56.1970000 38.5850000 L C-C-0.624788 -1 35.7620000 54.7850000 36.4240000 L O-O--0.573167 -1 35.6660000 54.1010000 37.4490000 L N-N--0.245382 -1 35.5770000 54.2580000 35.2040000 L H-H-0.255339 -1 35.7860000 54.8280000 34.3920000 L C-CT--0.271249 -1 34.9460000 52.9400000 34.9780000 L H-H1-0.163757 -1 34.0650000 52.8780000 35.6190000 L C-CT-0.237868 -1 34.4710000 52.7770000 33.5300000 L H-H1-0.044688 -1 34.1690000 51.7400000 33.3670000 L C-CT--0.176489 -1 33.2770000 53.6800000 33.2260000 L H-HC-0.060019 -1 32.4750000 53.4780000 33.9370000 L H-HC-0.060019 -1 33.5690000 54.7270000 33.2980000 L H-HC-0.060019 -1 32.9140000 53.4730000 32.2210000 L O-OH--0.601931 -1 35.5140000 53.1060000 32.6470000 L H-HO-0.405484 -1 35.3230000 52.6710000 31.7990000 L C-C-0.559878 -1 35.8360000 51.7610000 35.3610000 L O-O--0.552020 -1 37.0610000 51.8200000 35.2280000 L N-N--0.245382 -1 35.1940000 50.6690000 35.7900000 L H-H-0.255339 -1 34.1870000 50.7450000 35.8840000 L C-CT--0.271249 -1 35.8340000 49.4180000 36.2440000 L H-H1-0.163757 -1 36.7870000 49.2890000 35.7340000 L C-CT-0.237868 -1 36.0950000 49.4510000 37.7570000 L H-H1-0.044688 -1 36.3940000 48.4540000 38.0820000 L C-CT--0.176489 -1 37.2080000 50.4220000 38.1340000 L H-HC-0.060019 -1 37.4990000 50.2550000 39.1700000 L H-HC-0.060019 -1 38.0750000 50.2440000 37.4990000 L H-HC-0.060019 -1 36.8740000 51.4530000 38.0160000 L O-OH--0.601931 -1 34.9120000 49.8260000 38.4290000 L H-HO-0.405484 -1 35.0470000 49.6260000 39.3760000 L C-C-0.559878 -1 35.0240000 48.1590000 35.9610000 L O-O--0.552020 -1 35.6120000 47.0900000 35.8620000 L N-N--0.423392 -1 33.7020000 48.2540000 35.8450000 L H-H-0.306811 -1 33.2910000 49.1750000 35.9000000 L C-CT-0.031633 -1 32.7730000 47.1170000 35.8380000 L H-H1-0.065100 -1 33.3100000 46.1980000 35.5980000 L C-CT-0.074772 -1 32.1400000 46.9670000 37.2330000 L H-HC--0.003535 -1 31.6800000 47.9160000 37.5100000 L H-HC--0.003535 -1 31.3530000 46.2130000 37.1840000 L C-CT--0.033909 -1 33.1280000 46.5510000 38.3340000 L H-HC--0.004135 -1 33.4770000 45.5370000 38.1410000 L H-HC--0.004135 -1 33.9900000 47.2160000 38.3420000 L C-C-0.765188 -1 32.4560000 46.6110000 39.7020000 L O-O2--0.824035 -1 31.6230000 45.7210000 39.9970000 L O-O2--0.824035 -1 32.7080000 47.5810000 40.4570000 L C-C-0.469735 -1 31.6720000 47.3150000 34.7840000 L O-O--0.592528 -1 31.4120000 48.4390000 34.3430000 L N-N--0.374282 -1 31.0260000 46.2170000 34.3740000 L H-H-0.253981 -1 31.2620000 45.3400000 34.8300000 L C-CT--0.128844 -1 30.0120000 46.1880000 33.3040000 L H-HC-0.088859 -1 29.1340000 45.6680000 33.6890000 L H-HC-0.088859 -1 29.7220000 47.1980000 33.0150000 L C-C-0.580584 -1 30.4500000 45.4230000 32.0480000 L O-O--0.509157 -1 29.9170000 45.6700000 30.9660000 L N-N--0.300879 -1 31.4090000 44.5010000 32.1980000 L H-H-0.233693 -1 31.7840000 44.3940000 33.1310000 L C-CT--0.131381 -1 31.8250000 43.4830000 31.2190000 L H-H1-0.053266 -1 31.0250000 43.3100000 30.4990000 L C-CT-0.036707 -1 33.0990000 43.9160000 30.4690000 L H-HC-0.028012 -1 33.7750000 44.4390000 31.1480000 L H-HC-0.028012 -1 33.6020000 43.0170000 30.1190000 L C-CT-0.012454 -1 32.8120000 44.7870000 29.2380000 L H-HC-0.002964 -1 32.1650000 44.2420000 28.5490000 L H-HC-0.002964 -1 32.2910000 45.6900000 29.5540000 L C-CT-0.126329 -1 34.0890000 45.2070000 28.4950000 L H-H1-0.068148 -1 33.7880000 45.8220000 27.6520000 L H-H1-0.068148 -1 34.6890000 45.8250000 29.1640000 L N-N2--0.464890 -1 34.9220000 44.0780000 28.0300000 L H-H-0.326274 -1 35.1430000 43.3570000 28.7170000 L C-CA-0.565543 -1 35.5910000 43.9870000 26.8840000 L N-N2--0.685774 -1 35.4070000 44.8140000 25.8740000 L H-H-0.391052 -1 34.6780000 45.5170000 25.9040000 L H-H-0.391052 -1 35.9510000 44.7200000 25.0190000 L N-N2--0.685774 -1 36.4990000 43.0460000 26.7540000 L H-H-0.391052 -1 36.7050000 42.4240000 27.5380000 L H-H-0.391052 -1 37.0570000 42.9660000 25.9150000 L C-C-0.730308 -1 32.1050000 42.1680000 31.9540000 L O-O--0.578332 -1 32.5450000 42.1970000 33.1070000 L N-N--0.245382 -1 31.9220000 41.0250000 31.2810000 L H-H-0.255339 -1 31.6040000 41.0750000 30.3220000 L C-CT--0.271249 -1 32.1590000 39.6800000 31.8450000 L H-H1-0.163757 -1 31.7440000 39.6630000 32.8540000 L C-CT-0.237868 -1 31.4270000 38.6000000 31.0340000 L H-H1-0.044688 -1 31.8310000 37.6150000 31.2790000 L C-CT--0.176489 -1 29.9340000 38.5990000 31.3540000 L H-HC-0.060019 -1 29.4790000 39.5500000 31.0780000 L H-HC-0.060019 -1 29.4490000 37.7880000 30.8130000 L H-HC-0.060019 -1 29.7890000 38.4260000 32.4200000 L O-OH--0.601931 -1 31.5790000 38.8480000 29.6540000 L H-HO-0.405484 -1 30.7640000 38.5640000 29.2040000 L C-C-0.559878 -1 33.6330000 39.3250000 32.0410000 L O-O--0.552020 -1 33.9160000 38.3850000 32.7740000 L N-N--0.558201 -1 34.5690000 40.0700000 31.4430000 L H-H-0.319676 -1 34.2830000 40.8050000 30.8100000 L C-CT-0.007225 -1 36.0100000 40.0150000 31.7600000 L H-H1-0.082375 -1 36.2190000 39.0970000 32.3120000 L C-CT--0.047555 -1 36.8380000 39.9600000 30.4600000 L H-HC--0.014836 -1 37.8760000 39.7580000 30.7300000 L H-HC--0.014836 -1 36.5020000 39.1180000 29.8570000 L C-C-0.745168 -1 36.8080000 41.2330000 29.5990000 L O-O2--0.730385 -1 35.9300000 42.1060000 29.7940000 L O-O2--0.730385 -1 37.6620000 41.3400000 28.6880000 L C-C-0.443199 -1 36.4860000 41.1820000 32.6500000 L O-O--0.501445 -1 37.6430000 41.2100000 33.0650000 L N-N--0.374282 -1 35.6050000 42.1470000 32.9440000 L H-H-0.253981 -1 34.6500000 42.0110000 32.6460000 L C-CT--0.128844 -1 35.9050000 43.3310000 33.7520000 L H-HC-0.088859 -1 34.9730000 43.8200000 34.0310000 L H-HC-0.088859 -1 36.4260000 43.0100000 34.6490000 L C-C-0.580584 -1 36.7900000 44.3830000 33.0770000 L O-O--0.509157 -1 37.2670000 45.2840000 33.7620000 L N-N--0.487560 -1 37.0510000 44.2950000 31.7660000 L H-H-0.263521 -1 36.6640000 43.5200000 31.2370000 L C-CT-0.009614 -1 37.8830000 45.2900000 31.0760000 L H-H1-0.095501 -1 38.8230000 45.3560000 31.6260000 L C-CT--0.051853 -1 38.2120000 44.8170000 29.6540000 L H-HC-0.019145 -1 38.5490000 43.7800000 29.6950000 L H-HC-0.019145 -1 37.3100000 44.8530000 29.0470000 L C-CA-0.112601 -1 39.2990000 45.6450000 28.9940000 L C-CA--0.183461 -1 38.9660000 46.7130000 28.1350000 L H-HA-0.132715 -1 37.9320000 46.9050000 27.8850000 L C-CA--0.181823 -1 39.9770000 47.5490000 27.6200000 L H-HA-0.137303 -1 39.7280000 48.3760000 26.9730000 L C-C-0.206277 -1 41.3290000 47.3090000 27.9520000 L O-OH--0.421233 -1 42.3110000 48.1350000 27.4980000 L H-HO-0.329691 -1 43.1850000 47.8850000 27.8330000 L C-CA--0.181823 -1 41.6610000 46.2170000 28.7800000 L H-HA-0.137303 -1 42.6970000 46.0240000 29.0070000 L C-CA--0.183461 -1 40.6490000 45.3970000 29.3100000 L H-HA-0.132715 -1 40.9090000 44.5790000 29.9680000 L C-C-0.622290 -1 37.2510000 46.7020000 31.0730000 L O-O--0.526607 -1 36.0260000 46.8540000 31.0570000 L N-N--0.300879 -1 38.1020000 47.7400000 31.0410000 L H-H-0.233693 -1 39.0870000 47.5200000 31.0030000 L C-CT--0.131381 -1 37.7460000 49.1670000 31.1250000 L H-H1-0.053266 -1 37.0610000 49.2780000 31.9670000 L C-CT-0.036707 -1 38.9880000 50.0110000 31.4460000 L H-HC-0.028012 -1 39.7150000 49.9240000 30.6360000 L H-HC-0.028012 -1 38.6590000 51.0500000 31.5000000 L C-CT-0.012454 -1 39.6720000 49.6320000 32.7700000 L H-HC-0.002964 -1 38.9230000 49.3440000 33.5110000 L H-HC-0.002964 -1 40.3390000 48.7860000 32.6010000 L C-CT-0.126329 -1 40.4780000 50.8160000 33.3180000 L H-H1-0.068148 -1 41.1050000 50.4650000 34.1390000 L H-H1-0.068148 -1 41.1270000 51.2010000 32.5320000 L N-N2--0.464890 -1 39.5660000 51.8620000 33.8180000 L H-H-0.326274 -1 38.7910000 51.5530000 34.3960000 L C-CA-0.565543 -1 39.5920000 53.1650000 33.5750000 L N-N2--0.685774 -1 40.5060000 53.7390000 32.8270000 L H-H-0.391052 -1 41.1500000 53.1820000 32.2950000 L H-H-0.391052 -1 40.5650000 54.7540000 32.8120000 L N-N2--0.685774 -1 38.6470000 53.8960000 34.1120000 L H-H-0.391052 -1 37.9020000 53.4210000 34.6060000 L H-H-0.391052 -1 38.5300000 54.8860000 33.8830000 L C-C-0.730308 -1 37.0070000 49.7340000 29.8940000 L O-O--0.578332 -1 37.5280000 50.5690000 29.1490000 L N-N--0.427579 -1 35.7740000 49.2840000 29.6670000 L H-H-0.241716 -1 35.4260000 48.5560000 30.2770000 L C-CT--0.020082 -1 34.8250000 49.9480000 28.7700000 L H-H1-0.106629 -1 35.3170000 50.0950000 27.8100000 L C-CT--0.098364 -1 33.6220000 49.0270000 28.5280000 L H-HC-0.065424 -1 33.1560000 49.3240000 27.5880000 L H-HC-0.065424 -1 33.9740000 48.0070000 28.3900000 L C-C*--0.099797 -1 32.5550000 49.0350000 29.5800000 L C-CW--0.174053 -1 32.7000000 48.6450000 30.8670000 L H-H4-0.170633 -1 33.6140000 48.2690000 31.3110000 L N-NA--0.298433 -1 31.5070000 48.8190000 31.5390000 L H-H-0.322375 -1 31.4010000 48.6380000 32.5380000 L C-CN-0.141523 -1 30.5150000 49.2890000 30.7080000 L C-CA--0.210701 -1 29.1530000 49.5710000 30.8960000 L H-HA-0.125512 -1 28.6920000 49.4110000 31.8600000 L C-CA--0.133022 -1 28.4000000 50.0580000 29.8130000 L H-HA-0.119467 -1 27.3480000 50.2780000 29.9350000 L C-CA--0.164054 -1 29.0150000 50.2650000 28.5660000 L H-HA-0.119250 -1 28.4320000 50.6400000 27.7340000 L C-CA--0.153992 -1 30.3810000 49.9760000 28.3910000 L H-HA-0.123084 -1 30.8360000 50.1240000 27.4240000 L C-CB-0.089641 -1 31.1650000 49.4670000 29.4510000 L C-C-0.584129 -1 34.3920000 51.3340000 29.3020000 L O-O--0.494730 -1 34.6760000 51.7040000 30.4420000 L N-N--0.435921 -1 33.6670000 52.0960000 28.4800000 L H-H-0.290077 -1 33.4760000 51.7290000 27.5530000 L C-CT--0.030547 -1 33.1380000 53.4270000 28.7960000 L H-H1-0.132146 -1 33.0770000 53.5570000 29.8770000 L C-CT--0.033006 -1 34.0820000 54.4910000 28.2190000 L H-H1-0.078951 -1 34.2090000 54.3090000 27.1500000 L H-H1-0.078951 -1 33.6200000 55.4700000 28.3350000 L S-S--0.132272 -1 35.7200000 54.5650000 28.9840000 L C-C-0.624788 -1 31.7370000 53.6000000 28.1990000 L O-O--0.573167 -1 31.5250000 53.2700000 27.0330000 L N-N--0.374282 -1 30.7950000 54.1600000 28.9700000 L H-H-0.253981 -1 31.0270000 54.3930000 29.9250000 L C-CT--0.128844 -1 29.3820000 54.2430000 28.5730000 L H-HC-0.088859 -1 29.0500000 53.2610000 28.2290000 L H-HC-0.088859 -1 28.7820000 54.5370000 29.4350000 L C-C-0.580584 -1 29.1030000 55.2350000 27.4400000 L O-O--0.509157 -1 28.2910000 54.9470000 26.5700000 L N-N--0.245382 -1 29.7760000 56.3980000 27.4040000 L H-H-0.255339 -1 30.4540000 56.5430000 28.1370000 L C-CT--0.271249 -1 29.5880000 57.4880000 26.4010000 L H-H1-0.163757 -1 30.1180000 58.3630000 26.7660000 L C-CT-0.237868 -1 30.2600000 57.1470000 25.0560000 L H-H1-0.044688 -1 30.1370000 57.9880000 24.3710000 L C-CT--0.176489 -1 31.7590000 56.8810000 25.2090000 L H-HC-0.060019 -1 31.9360000 55.9950000 25.8190000 L H-HC-0.060019 -1 32.1970000 56.7160000 24.2240000 L H-HC-0.060019 -1 32.2460000 57.7450000 25.6600000 L O-OH--0.601931 -1 29.6770000 56.0050000 24.4790000 L H-HO-0.405484 -1 29.1380000 55.5570000 25.1520000 L C-C-0.559878 -1 28.1450000 58.0090000 26.2270000 L O-O--0.552020 -1 27.8780000 58.8140000 25.3320000 L N-N--0.245382 -1 27.2270000 57.6120000 27.1130000 L H-H-0.255339 -1 27.5310000 56.9900000 27.8470000 L C-CT--0.271249 -1 25.8220000 58.0290000 27.2030000 L H-H1-0.163757 -1 25.7340000 59.0790000 26.9320000 L C-CT-0.237868 -1 24.9720000 57.2250000 26.2070000 L H-H1-0.044688 -1 25.4470000 57.2850000 25.2260000 L C-CT--0.176489 -1 24.7720000 55.7480000 26.5630000 L H-HC-0.060019 -1 24.2390000 55.2470000 25.7560000 L H-HC-0.060019 -1 25.7350000 55.2580000 26.6880000 L H-HC-0.060019 -1 24.1990000 55.6430000 27.4820000 L O-OH--0.601931 -1 23.7220000 57.8580000 26.1210000 L H-HO-0.405484 -1 23.4360000 57.8070000 25.1830000 L C-C-0.559878 -1 25.3660000 57.9170000 28.6610000 L O-O--0.552020 -1 26.1980000 57.7190000 29.5410000 L N-N--0.423392 -1 24.0680000 58.0610000 28.9100000 L H-H-0.306811 -1 23.4850000 58.1970000 28.0930000 L C-CT-0.031633 -1 23.4350000 58.1370000 30.2360000 L H-H1-0.065100 -1 24.2100000 58.1160000 31.0010000 L C-CT-0.074772 -1 22.7190000 59.4900000 30.3580000 L H-HC--0.003535 -1 22.2940000 59.5790000 31.3570000 L H-HC--0.003535 -1 23.4550000 60.2860000 30.2310000 L C-CT--0.033909 -1 21.6000000 59.6660000 29.3190000 L H-HC--0.004135 -1 21.9920000 59.5240000 28.3110000 L H-HC--0.004135 -1 20.8220000 58.9210000 29.4910000 L C-C-0.765188 -1 20.9920000 61.0580000 29.3950000 L O-O2--0.824035 -1 19.8140000 61.1720000 29.8030000 L O-O2--0.824035 -1 21.6720000 62.0340000 29.0040000 L C-C-0.469735 -1 22.4720000 56.9670000 30.5390000 L O-O--0.592528 -1 22.0140000 56.8100000 31.6720000 L N-N--0.558201 -1 22.1670000 56.1350000 29.5420000 L H-H-0.319676 -1 22.5610000 56.3210000 28.6320000 L C-CT-0.007225 -1 21.3570000 54.9190000 29.6560000 L H-H1-0.082375 -1 21.6010000 54.4080000 30.5880000 L C-CT--0.047555 -1 19.8650000 55.2910000 29.6850000 L H-HC--0.014836 -1 19.6930000 55.9780000 30.5130000 L H-HC--0.014836 -1 19.6120000 55.8260000 28.7700000 L C-C-0.745168 -1 18.9100000 54.1040000 29.8590000 L O-O2--0.730385 -1 19.3280000 52.9270000 29.7580000 L O-O2--0.730385 -1 17.7090000 54.3770000 30.0920000 L C-C-0.443199 -1 21.6960000 53.9860000 28.4820000 L O-O--0.501445 -1 21.3190000 54.2370000 27.3330000 L N-N--0.487560 -1 22.4490000 52.9210000 28.7710000 L H-H-0.263521 -1 22.7240000 52.7730000 29.7370000 L C-CT-0.009614 -1 22.9290000 51.9690000 27.7660000 L H-H1-0.095501 -1 23.5330000 52.5190000 27.0440000 L C-CT--0.051853 -1 23.8290000 50.9300000 28.4520000 L H-HC-0.019145 -1 24.6300000 51.4510000 28.9790000 L H-HC-0.019145 -1 23.2360000 50.3940000 29.1940000 L C-CA-0.112601 -1 24.4600000 49.9300000 27.4970000 L C-CA--0.183461 -1 25.3720000 50.3770000 26.5220000 L H-HA-0.132715 -1 25.6380000 51.4220000 26.4710000 L C-CA--0.181823 -1 25.9280000 49.4710000 25.6010000 L H-HA-0.137303 -1 26.6100000 49.8210000 24.8420000 L C-C-0.206277 -1 25.5810000 48.1030000 25.6520000 L O-OH--0.421233 -1 26.1100000 47.2400000 24.7410000 L H-HO-0.329691 -1 25.7290000 46.3490000 24.7940000 L C-CA--0.181823 -1 24.6800000 47.6480000 26.6420000 L H-HA-0.137303 -1 24.4280000 46.5970000 26.6990000 L C-CA--0.183461 -1 24.1230000 48.5620000 27.5600000 L H-HA-0.132715 -1 23.4380000 48.2090000 28.3190000 L C-C-0.622290 -1 21.8060000 51.2800000 26.9700000 L O-O--0.526607 -1 22.0060000 50.9550000 25.8020000 L N-N--0.558201 -1 20.6170000 51.0880000 27.5520000 L H-H-0.319676 -1 20.4610000 51.4740000 28.4780000 L C-CT-0.007225 -1 19.4890000 50.4830000 26.8360000 L H-H1-0.082375 -1 19.8730000 49.7280000 26.1470000 L C-CT--0.047555 -1 18.5650000 49.7590000 27.8210000 L H-HC--0.014836 -1 19.1280000 48.9660000 28.3130000 L H-HC--0.014836 -1 18.2210000 50.4630000 28.5820000 L C-C-0.745168 -1 17.3600000 49.1450000 27.1040000 L O-O2--0.730385 -1 16.2270000 49.5980000 27.3820000 L O-O2--0.730385 -1 17.5550000 48.2590000 26.2380000 L C-C-0.443199 -1 18.7080000 51.5080000 25.9990000 L O-O--0.501445 -1 18.2330000 51.1590000 24.9210000 L N-N--0.300879 -1 18.6070000 52.7640000 26.4530000 L H-H-0.233693 -1 19.0370000 52.9820000 27.3450000 L C-CT--0.131381 -1 17.8880000 53.8270000 25.7320000 L H-H1-0.053266 -1 16.9610000 53.4000000 25.3470000 L C-CT-0.036707 -1 17.5250000 54.9480000 26.7210000 L H-HC-0.028012 -1 17.1840000 54.4860000 27.6440000 L H-HC-0.028012 -1 18.4140000 55.5440000 26.9240000 L C-CT-0.012454 -1 16.3920000 55.8670000 26.2360000 L H-HC-0.002964 -1 16.6640000 56.3440000 25.2970000 L H-HC-0.002964 -1 15.4980000 55.2630000 26.0780000 L C-CT-0.126329 -1 16.0690000 56.9630000 27.2570000 L H-H1-0.068148 -1 15.0770000 57.3520000 27.0280000 L H-H1-0.068148 -1 16.0430000 56.5290000 28.2540000 L N-N2--0.464890 -1 17.0280000 58.0770000 27.1750000 L H-H-0.326274 -1 17.2610000 58.4040000 26.2390000 L C-CA-0.565543 -1 17.6160000 58.7520000 28.1530000 L N-N2--0.685774 -1 17.5120000 58.4320000 29.4250000 L H-H-0.391052 -1 16.9580000 57.6330000 29.7070000 L H-H-0.391052 -1 18.0050000 58.9650000 30.1250000 L N-N2--0.685774 -1 18.3430000 59.7920000 27.8250000 L H-H-0.391052 -1 18.4100000 60.0410000 26.8450000 L H-H-0.391052 -1 18.7740000 60.3790000 28.5330000 L C-C-0.730308 -1 18.6710000 54.3960000 24.5370000 L O-O--0.578332 -1 18.0700000 55.0300000 23.6650000 L N-N--0.558201 -1 19.9990000 54.2300000 24.4990000 L H-H-0.319676 -1 20.4220000 53.8100000 25.3170000 L C-CT-0.007225 -1 20.8750000 54.9350000 23.5460000 L H-H1-0.082375 -1 20.2760000 55.2390000 22.6880000 L C-CT--0.047555 -1 21.3910000 56.2010000 24.2500000 L H-HC--0.014836 -1 20.5750000 56.6560000 24.8140000 L H-HC--0.014836 -1 22.1650000 55.9160000 24.9610000 L C-C-0.745168 -1 21.9250000 57.2630000 23.2900000 L O-O2--0.730385 -1 22.9590000 57.8910000 23.6100000 L O-O2--0.730385 -1 21.2500000 57.5500000 22.2730000 L C-C-0.443199 -1 22.0350000 54.1030000 22.9580000 L O-O--0.501445 -1 22.6500000 54.5300000 21.9820000 L N-N--0.435875 -1 22.2900000 52.8990000 23.4890000 L H-H-0.251302 -1 21.7470000 52.6240000 24.2970000 L C-CT--0.038773 -1 23.1420000 51.8380000 22.9070000 L H-H1-0.129478 -1 23.1450000 51.0100000 23.6160000 L C-CT--0.108273 -1 22.4920000 51.3060000 21.6070000 L H-HC-0.045214 -1 22.7220000 52.0080000 20.8040000 L H-HC-0.045214 -1 22.9710000 50.3610000 21.3480000 L C-CT-0.033341 -1 20.9630000 51.0870000 21.5990000 L H-HC-0.010208 -1 20.4500000 52.0280000 21.7980000 L H-HC-0.010208 -1 20.6880000 50.7900000 20.5890000 L C-CT--0.047841 -1 20.4500000 50.0190000 22.5770000 L H-HC-0.070715 -1 21.0150000 49.0960000 22.4370000 L H-HC-0.070715 -1 20.5870000 50.3730000 23.5990000 L C-CT--0.069974 -1 18.9580000 49.7550000 22.3100000 L H-HP-0.119522 -1 18.4170000 50.7060000 22.3520000 L H-HP-0.119522 -1 18.8450000 49.3490000 21.3010000 L N-N3--0.250358 -1 18.3660000 48.8200000 23.2970000 L H-H-0.294561 -1 18.2980000 49.2580000 24.2110000 L H-H-0.294561 -1 17.4280000 48.5410000 23.0290000 L H-H-0.294561 -1 18.9030000 47.9640000 23.3650000 L C-C-0.725129 -1 24.6470000 52.1670000 22.7040000 L O-O--0.563157 -1 25.4020000 51.3290000 22.2070000 L N-N--0.435875 -1 25.1200000 53.3680000 23.0580000 L H-H-0.251302 -1 24.4650000 54.0410000 23.4220000 L C-CT--0.038773 -1 26.5250000 53.7660000 22.8550000 L H-H1-0.129478 -1 26.7880000 53.5170000 21.8320000 L C-CT--0.108273 -1 26.6940000 55.2860000 23.0460000 L H-HC-0.045214 -1 26.5310000 55.5250000 24.0970000 L H-HC-0.045214 -1 27.7270000 55.5400000 22.8130000 L C-CT-0.033341 -1 25.7860000 56.1910000 22.1970000 L H-HC-0.010208 -1 24.7580000 56.0800000 22.5410000 L H-HC-0.010208 -1 26.0790000 57.2250000 22.3790000 L C-CT--0.047841 -1 25.8250000 55.9340000 20.6830000 L H-HC-0.070715 -1 25.4030000 54.9490000 20.4800000 L H-HC-0.070715 -1 25.1910000 56.6800000 20.2010000 L C-CT--0.069974 -1 27.2400000 56.0110000 20.0890000 L H-HP-0.119522 -1 27.7180000 56.9400000 20.4100000 L H-HP-0.119522 -1 27.8300000 55.1700000 20.4620000 L N-N3--0.250358 -1 27.2030000 55.9650000 18.6090000 L H-H-0.294561 -1 26.8510000 56.8410000 18.2320000 L H-H-0.294561 -1 28.1300000 55.8080000 18.2180000 L H-H-0.294561 -1 26.6000000 55.2140000 18.2850000 L C-C-0.725129 -1 27.5150000 53.0190000 23.7760000 L O-O--0.563157 -1 27.1830000 52.7180000 24.9210000 L N-N--0.487560 -1 28.7490000 52.7930000 23.3090000 L H-H-0.263521 -1 28.9300000 52.9980000 22.3320000 L C-CT-0.009614 -1 29.8960000 52.3640000 24.1250000 L H-H1-0.095501 -1 29.8680000 52.9290000 25.0580000 L C-CT--0.051853 -1 29.7790000 50.8690000 24.4830000 L H-HC-0.019145 -1 30.5820000 50.6280000 25.1790000 L H-HC-0.019145 -1 28.8490000 50.7030000 25.0260000 L C-CA-0.112601 -1 29.8410000 49.8830000 23.3270000 L C-CA--0.183461 -1 28.6890000 49.6020000 22.5670000 L H-HA-0.132715 -1 27.7620000 50.1160000 22.7780000 L C-CA--0.181823 -1 28.7320000 48.6510000 21.5300000 L H-HA-0.137303 -1 27.8450000 48.4430000 20.9490000 L C-C-0.206277 -1 29.9320000 47.9610000 21.2530000 L O-OH--0.421233 -1 29.9660000 47.0240000 20.2660000 L H-HO-0.329691 -1 30.8350000 46.5880000 20.2080000 L C-CA--0.181823 -1 31.0880000 48.2360000 22.0190000 L H-HA-0.137303 -1 32.0050000 47.7010000 21.8190000 L C-CA--0.183461 -1 31.0410000 49.1980000 23.0470000 L H-HA-0.132715 -1 31.9260000 49.4010000 23.6330000 L C-C-0.622290 -1 31.2640000 52.6420000 23.4610000 L O-O--0.526607 -1 31.3830000 52.7220000 22.2360000 L N-N--0.374282 -1 32.3110000 52.7200000 24.2900000 L H-H-0.253981 -1 32.1000000 52.6710000 25.2820000 L C-CT--0.128844 -1 33.7390000 52.7740000 23.9280000 L H-HC-0.088859 -1 33.9150000 52.3060000 22.9580000 L H-HC-0.088859 -1 34.0490000 53.8160000 23.8500000 L C-C-0.580584 -1 34.6110000 52.0910000 24.9910000 L O-O--0.509157 -1 34.0950000 51.3200000 25.8020000 L N-N--0.371290 -1 35.9160000 52.3820000 25.0220000 L H-H-0.234053 -1 36.3020000 52.9230000 24.2560000 L C-CT--0.030057 -1 36.8370000 51.9600000 26.0910000 L H-H1-0.102448 -1 36.2630000 51.8460000 27.0090000 L C-CT--0.098720 -1 37.4450000 50.5840000 25.7430000 L H-HC-0.060989 -1 37.8800000 50.1620000 26.6480000 L H-HC-0.060989 -1 36.6410000 49.9080000 25.4480000 L C-CA-0.021313 -1 38.5190000 50.5640000 24.6660000 L C-CA--0.083109 -1 39.8790000 50.6580000 25.0240000 L H-HA-0.098466 -1 40.1640000 50.7740000 26.0600000 L C-CA--0.156974 -1 40.8790000 50.5890000 24.0380000 L H-HA-0.123731 -1 41.9220000 50.6630000 24.3160000 L C-CA--0.099824 -1 40.5260000 50.4220000 22.6880000 L H-HA-0.114679 -1 41.2960000 50.3700000 21.9310000 L C-CA--0.156974 -1 39.1710000 50.3200000 22.3270000 L H-HA-0.123731 -1 38.8970000 50.1840000 21.2900000 L C-CA--0.083109 -1 38.1700000 50.3910000 23.3120000 L H-HA-0.098466 -1 37.1310000 50.3090000 23.0240000 L C-C-0.547987 -1 37.9190000 53.0100000 26.4090000 L O-O--0.506795 -1 38.1100000 53.9630000 25.6530000 L N-N--0.435921 -1 38.6240000 52.8370000 27.5350000 L H-H-0.290077 -1 38.3640000 52.0650000 28.1470000 L C-CT--0.030547 -1 39.7710000 53.6640000 27.9490000 L H-H1-0.132146 -1 40.3130000 53.9810000 27.0580000 L C-CT--0.033006 -1 39.2500000 54.9230000 28.6570000 L H-H1-0.078951 -1 38.5220000 55.4140000 28.0110000 L H-H1-0.078951 -1 38.7420000 54.6310000 29.5780000 L S-S--0.132272 -1 40.5310000 56.1350000 29.0650000 L C-C-0.624788 -1 40.7050000 52.8610000 28.8860000 L O-O--0.573167 -1 40.2580000 52.4610000 29.9620000 L N-N--0.088116 -1 41.9700000 52.5770000 28.5090000 L C-CT--0.011906 -1 42.6610000 53.0820000 27.3300000 L H-H1-0.043951 -1 42.6320000 54.1710000 27.2850000 L H-H1-0.043950 -1 42.2100000 52.6540000 26.4320000 L C-CT-0.013059 -1 44.1030000 52.5970000 27.4570000 L H-HC-0.019574 -1 44.6780000 53.3000000 28.0610000 L H-HC-0.019574 -1 44.5680000 52.4560000 26.4810000 L C-CT--0.003351 -1 43.9460000 51.2770000 28.2090000 L H-HC-0.019352 -1 44.8550000 50.9980000 28.7410000 L H-HC-0.019352 -1 43.6730000 50.4950000 27.5010000 L C-CT--0.034577 -1 42.7740000 51.5390000 29.1630000 L H-H1-0.059977 -1 42.1840000 50.6240000 29.2400000 L C-C-0.333720 -1 43.2710000 51.8910000 30.5740000 L O-O--0.434559 -1 43.4340000 50.9860000 31.3860000 L N-N--0.423392 -1 43.4890000 53.1740000 30.8880000 L H-H-0.306811 -1 43.2720000 53.8930000 30.2110000 L C-CT-0.031633 -1 44.0080000 53.6750000 32.1710000 L H-H1-0.065100 -1 43.7100000 53.0150000 32.9880000 L C-CT-0.074772 -1 45.5500000 53.7810000 32.1340000 L H-HC--0.003535 -1 45.8520000 54.3170000 31.2330000 L H-HC--0.003535 -1 45.8780000 54.3580000 32.9980000 L C-CT--0.033909 -1 46.2680000 52.4290000 32.1850000 L H-HC--0.004135 -1 45.9940000 51.9230000 33.1100000 L H-HC--0.004135 -1 45.9510000 51.8130000 31.3440000 L C-C-0.765188 -1 47.7870000 52.5840000 32.1090000 L O-O2--0.824035 -1 48.4730000 52.4470000 33.1540000 L O-O2--0.824035 -1 48.3030000 52.7660000 30.9770000 L C-C-0.469735 -1 43.4340000 55.0770000 32.4300000 L O-O--0.592528 -1 42.9920000 55.7350000 31.4850000 L N-N--0.245382 -1 43.4810000 55.5430000 33.6860000 L H-H-0.255339 -1 43.8010000 54.9100000 34.4140000 L C-CT--0.271249 -1 43.0510000 56.8860000 34.1070000 L H-H1-0.163757 -1 42.9950000 57.5270000 33.2280000 L C-CT-0.237868 -1 41.6480000 56.8320000 34.7310000 L H-H1-0.044688 -1 41.6290000 56.0920000 35.5330000 L C-CT--0.176489 -1 41.1990000 58.1820000 35.2900000 L H-HC-0.060019 -1 41.7760000 58.4170000 36.1830000 L H-HC-0.060019 -1 41.3460000 58.9620000 34.5450000 L H-HC-0.060019 -1 40.1480000 58.1310000 35.5740000 L O-OH--0.601931 -1 40.7430000 56.4550000 33.7180000 L H-HO-0.405484 -1 39.9850000 57.0820000 33.6970000 L C-C-0.559878 -1 44.0910000 57.4570000 35.0650000 L O-O--0.552020 -1 44.2520000 56.9850000 36.1890000 L N-N--0.404773 -1 44.8110000 58.4820000 34.6090000 L H-H-0.294276 -1 44.6100000 58.7970000 33.6670000 L C-CT--0.027733 -1 45.9770000 59.0890000 35.2720000 L H-H1-0.120802 -1 46.6530000 58.2880000 35.5730000 L C-CT--0.229951 -1 46.6790000 59.9270000 34.1960000 L H-HC-0.077428 -1 47.6140000 60.3100000 34.5960000 L H-HC-0.077428 -1 46.8970000 59.3150000 33.3200000 L H-HC-0.077428 -1 46.0440000 60.7620000 33.9010000 L C-C-0.570224 -1 45.6940000 59.9150000 36.5590000 L O-O--0.555129 -1 46.5050000 60.7580000 36.9530000 L N-N--0.394918 -1 44.5350000 59.7240000 37.1970000 L H-H-0.280537 -1 43.9720000 58.9360000 36.9090000 L C-CT--0.087681 -1 44.0550000 60.5330000 38.3250000 L H-H1-0.123080 -1 44.4630000 61.5390000 38.2230000 L C-CT-0.019227 -1 42.5240000 60.6610000 38.2830000 L H-HC-0.048840 -1 42.0720000 59.6690000 38.2650000 L H-HC-0.048840 -1 42.1950000 61.1670000 39.1900000 L C-CT--0.208167 -1 42.0400000 61.4760000 37.0730000 L H-H1-0.124228 -1 42.3270000 60.9590000 36.1570000 L H-H1-0.124228 -1 40.9490000 61.5130000 37.1050000 L S-S--0.211958 -1 42.6790000 63.1730000 37.0070000 L C-CT--0.284698 -1 41.7550000 63.7870000 35.5820000 L H-H1-0.128394 -1 41.9810000 64.8430000 35.4220000 L H-H1-0.128394 -1 42.0340000 63.2230000 34.6940000 L H-H1-0.128394 -1 40.6820000 63.6790000 35.7520000 L C-C-0.599684 -1 44.5660000 60.0230000 39.6790000 L O-O--0.566424 -1 43.8460000 59.4200000 40.4690000 L N-N--0.541430 -1 45.8310000 60.3050000 39.9780000 L H-H-0.345415 -1 46.4050000 60.7000000 39.2410000 L C-CT-0.118140 -1 46.4840000 59.9490000 41.2540000 L H-H1-0.142177 -1 46.2690000 58.8960000 41.4500000 L C-CT-0.146998 -1 48.0140000 60.0980000 41.1240000 L H-H1-0.040081 -1 48.2950000 61.1000000 41.4490000 L H-H1-0.040081 -1 48.4930000 59.3840000 41.7960000 L O-OH--0.640312 -1 48.5090000 59.9100000 39.8010000 L H-HO-0.446255 -1 48.0120000 59.1750000 39.3620000 L C-C-0.483424 -1 45.9770000 60.7320000 42.4990000 L O-O--0.580829 -1 46.6200000 60.6930000 43.5560000 L N-N--0.245382 -1 44.8560000 61.4610000 42.3810000 L H-H-0.255339 -1 44.3630000 61.3920000 41.5000000 L C-CT--0.271249 -1 44.1970000 62.3050000 43.3970000 L H-H1-0.163757 -1 44.4470000 61.9370000 44.3900000 L C-CT-0.237868 -1 44.6440000 63.7740000 43.2780000 L H-H1-0.044688 -1 44.0070000 64.3950000 43.9120000 L C-CT--0.176489 -1 46.0930000 63.9730000 43.7190000 L H-HC-0.060019 -1 46.3260000 65.0370000 43.7190000 L H-HC-0.060019 -1 46.2300000 63.5780000 44.7230000 L H-HC-0.060019 -1 46.7720000 63.4650000 43.0340000 L O-OH--0.601931 -1 44.5470000 64.2180000 41.9440000 L H-HO-0.405484 -1 43.6160000 64.4450000 41.7720000 L C-C-0.559878 -1 42.6870000 62.1910000 43.1970000 L O-O--0.552020 -1 42.2290000 62.1310000 42.0580000 L N-N--0.450087 -1 41.9020000 62.1220000 44.2760000 L H-H-0.440048 -1 42.3100000 62.3080000 45.1890000 L C-CT--0.051858 -1 40.5150000 61.5980000 44.2220000 L H-H1--0.026204 -1 40.1010000 61.8010000 43.2340000 L C-CT-0.395217 -1 40.4710000 60.0600000 44.4420000 L H-HC--0.115672 -1 39.4230000 59.7690000 44.5120000 L C-CT--0.090132 -1 41.0680000 59.2900000 43.2530000 L H-HC--0.008985 -1 42.1440000 59.4550000 43.1890000 L H-HC--0.008985 -1 40.8850000 58.2220000 43.3790000 L H-HC--0.008985 -1 40.5960000 59.6170000 42.3260000 L C-CT--0.090132 -1 41.1690000 59.6180000 45.7440000 L H-HC--0.008985 -1 42.2250000 59.8900000 45.7290000 L H-HC--0.008985 -1 40.6900000 60.0810000 46.6060000 L H-HC--0.008985 -1 41.0920000 58.5370000 45.8550000 L C-C-0.447359 -1 39.5740000 62.2570000 45.2380000 L O-O--0.404629 -1 39.9990000 62.6530000 46.3190000 L N-N--0.374282 -1 38.2790000 62.3130000 44.9080000 L H-H-0.253981 -1 38.0240000 61.9800000 43.9850000 L C-CT--0.128844 -1 37.1850000 62.4930000 45.8700000 L H-HC-0.088859 -1 36.2300000 62.4350000 45.3490000 L H-HC-0.088859 -1 37.2340000 61.6650000 46.5760000 L C-C-0.580584 -1 37.1840000 63.7910000 46.6790000 L O-O--0.509157 -1 37.2900000 64.8890000 46.1310000 L N-N--0.374282 -1 36.9810000 63.6390000 47.9940000 L H-H-0.253981 -1 36.8570000 62.6950000 48.3290000 L C-CT--0.128844 -1 36.8100000 64.7170000 48.9750000 L H-HC-0.088859 -1 36.9510000 64.3250000 49.9810000 L H-HC-0.088859 -1 37.5220000 65.5200000 48.7950000 L C-C-0.580584 -1 35.4030000 65.2910000 48.8900000 L O-O--0.509157 -1 34.4520000 64.6630000 49.3630000 L N-N--0.430106 -1 35.2740000 66.4400000 48.2220000 L H-H-0.254543 -1 36.1210000 66.9130000 47.9310000 L C-CT-0.044609 -1 33.9880000 66.9760000 47.7600000 L H-H1-0.059601 -1 33.2540000 66.1750000 47.8170000 L C-CT--0.093650 -1 33.4960000 68.0880000 48.7130000 L H-HC-0.043321 -1 32.4300000 68.2370000 48.5380000 L H-HC-0.043321 -1 33.6010000 67.7400000 49.7410000 L C-C-0.583519 -1 34.1730000 69.4570000 48.5830000 L O-O--0.526813 -1 34.9280000 69.7500000 47.6620000 L N-N--0.781735 -1 33.9000000 70.3550000 49.5100000 L H-H-0.355079 -1 34.2690000 71.2900000 49.4440000 L H-H-0.355079 -1 33.3740000 70.0630000 50.3270000 L C-C-0.617141 -1 33.9870000 67.4050000 46.2780000 L O-O--0.523909 -1 32.9410000 67.7770000 45.7500000 L N-N--0.541430 -1 35.1370000 67.3720000 45.5960000 L H-H-0.345415 -1 35.9610000 67.0070000 46.0600000 L C-CT-0.118140 -1 35.3190000 67.9890000 44.2710000 L H-H1-0.142177 -1 34.3420000 68.1060000 43.8020000 L C-CT-0.146998 -1 35.9100000 69.3970000 44.4290000 L H-H1-0.040081 -1 36.8270000 69.3570000 45.0200000 L H-H1-0.040081 -1 36.1400000 69.8170000 43.4520000 L O-OH--0.640312 -1 34.9560000 70.2340000 45.0560000 L H-HO-0.446255 -1 34.9140000 69.9840000 46.0030000 L C-C-0.483424 -1 36.1220000 67.1120000 43.2990000 L O-O--0.580829 -1 36.9500000 67.6040000 42.5280000 L N-N--0.423392 -1 35.8610000 65.8020000 43.3320000 L H-H-0.306811 -1 35.1820000 65.4880000 44.0260000 L C-CT-0.031633 -1 36.2660000 64.7820000 42.3520000 L H-H1-0.065100 -1 35.8010000 63.8500000 42.6780000 L C-CT-0.074772 -1 35.6650000 65.1030000 40.9620000 L H-HC--0.003535 -1 36.0610000 66.0540000 40.6030000 L H-HC--0.003535 -1 35.9690000 64.3290000 40.2570000 L C-CT--0.033909 -1 34.1240000 65.1670000 40.9850000 L H-HC--0.004135 -1 33.7310000 64.1740000 41.1900000 L H-HC--0.004135 -1 33.7880000 65.8240000 41.7870000 L C-C-0.765188 -1 33.5380000 65.6970000 39.6760000 L O-O2--0.824035 -1 33.3560000 66.9310000 39.5550000 L O-O2--0.824035 -1 33.2470000 64.9050000 38.7480000 L C-C-0.469735 -1 37.7780000 64.4770000 42.3010000 L O-O--0.592528 -1 38.1740000 63.4530000 41.7390000 L N-N--0.374282 -1 38.6270000 65.2940000 42.9350000 L H-H-0.253981 -1 38.2270000 66.1120000 43.3770000 L C-CT--0.128844 -1 40.0750000 65.0770000 43.0520000 L H-HC-0.088859 -1 40.4290000 65.5450000 43.9700000 L H-HC-0.088859 -1 40.2810000 64.0120000 43.0790000 L C-C-0.580584 -1 40.9000000 65.6580000 41.9050000 L O-O--0.509157 -1 42.0330000 65.2220000 41.7090000 L N-N--0.404773 -1 40.3510000 66.6160000 41.1530000 L H-H-0.294276 -1 39.4070000 66.8960000 41.3760000 L C-CT--0.027733 -1 41.0110000 67.2870000 40.0290000 L H-H1-0.120802 -1 41.0520000 66.5890000 39.1960000 L C-CT--0.229951 -1 40.1090000 68.4550000 39.6070000 L H-HC-0.077428 -1 40.0170000 69.1710000 40.4250000 L H-HC-0.077428 -1 40.5370000 68.9600000 38.7400000 L H-HC-0.077428 -1 39.1160000 68.0900000 39.3430000 L C-C-0.570224 -1 42.4470000 67.7610000 40.3840000 L O-O--0.555129 -1 42.5850000 68.4940000 41.3690000 L N-N--0.088116 -1 43.5060000 67.3790000 39.6290000 L C-CT--0.011906 -1 43.4590000 66.3900000 38.5580000 L H-H1-0.043951 -1 42.9790000 66.8220000 37.6790000 L H-H1-0.043950 -1 42.9260000 65.4930000 38.8770000 L C-CT-0.013059 -1 44.9090000 66.0340000 38.2330000 L H-HC-0.019574 -1 45.0370000 65.7760000 37.1820000 L H-HC-0.019574 -1 45.2350000 65.2100000 38.8710000 L C-CT--0.003351 -1 45.6650000 67.3030000 38.6090000 L H-HC-0.019352 -1 45.5720000 68.0380000 37.8070000 L H-HC-0.019352 -1 46.7140000 67.1010000 38.8290000 L C-CT--0.034577 -1 44.9070000 67.7780000 39.8490000 L H-H1-0.059977 -1 45.2710000 67.2040000 40.7030000 L C-C-0.333720 -1 45.1870000 69.2630000 40.1390000 L O-O--0.434559 -1 46.2320000 69.5840000 40.7040000 L N-N--0.435921 -1 44.2550000 70.1740000 39.8360000 L H-H-0.290077 -1 43.4710000 69.8820000 39.2540000 L C-CT--0.030547 -1 44.2250000 71.5470000 40.3580000 L H-H1-0.132146 -1 45.1650000 72.0180000 40.0830000 L C-CT--0.033006 -1 43.1020000 72.3280000 39.6660000 L H-H1-0.078951 -1 43.2080000 73.3830000 39.9230000 L H-H1-0.078951 -1 43.2240000 72.2390000 38.5850000 L S-S--0.132272 -1 41.4230000 71.8080000 40.1040000 L C-C-0.624788 -1 44.1350000 71.6700000 41.8950000 L O-O--0.573167 -1 44.2220000 72.7890000 42.4010000 L N-N--0.450087 -1 44.0050000 70.5560000 42.6300000 L H-H-0.440048 -1 43.7790000 69.7120000 42.1040000 L C-CT--0.051858 -1 44.1460000 70.4500000 44.1030000 L H-H1--0.026204 -1 43.3010000 70.9810000 44.5290000 L C-CT-0.395217 -1 44.0740000 68.9960000 44.6390000 L H-HC--0.115672 -1 44.4510000 69.0230000 45.6560000 L C-CT--0.090132 -1 42.6460000 68.4500000 44.7810000 L H-HC--0.008985 -1 42.0580000 69.1260000 45.4010000 L H-HC--0.008985 -1 42.1720000 68.3360000 43.8120000 L H-HC--0.008985 -1 42.6740000 67.4750000 45.2710000 L C-CT--0.090132 -1 44.9600000 68.0090000 43.8610000 L H-HC--0.008985 -1 44.5640000 67.8390000 42.8630000 L H-HC--0.008985 -1 45.9720000 68.4030000 43.7780000 L H-HC--0.008985 -1 44.9970000 67.0560000 44.3890000 L C-C-0.447359 -1 45.4250000 71.0880000 44.6860000 L O-O--0.404629 -1 45.4790000 71.3510000 45.8860000 L N-N--0.371290 -1 46.4670000 71.3240000 43.8790000 L H-H-0.234053 -1 46.3930000 71.0760000 42.9030000 L C-CT--0.030057 -1 47.6910000 71.9990000 44.3190000 L H-H1-0.102448 -1 47.4000000 72.7220000 45.0790000 L C-CT--0.098720 -1 48.6560000 70.9830000 44.9750000 L H-HC-0.060989 -1 49.6710000 71.3750000 44.9450000 L H-HC-0.060989 -1 48.3820000 70.9240000 46.0290000 L C-CA-0.021313 -1 48.6830000 69.5640000 44.4190000 L C-CA--0.083109 -1 48.5060000 68.4740000 45.2950000 L H-HA-0.098466 -1 48.3400000 68.6460000 46.3480000 L C-CA--0.156974 -1 48.5290000 67.1570000 44.8060000 L H-HA-0.123731 -1 48.3840000 66.3260000 45.4790000 L C-CA--0.099824 -1 48.7270000 66.9180000 43.4360000 L H-HA-0.114679 -1 48.7320000 65.9050000 43.0580000 L C-CA--0.156974 -1 48.9110000 67.9980000 42.5570000 L H-HA-0.123731 -1 49.0530000 67.8140000 41.5010000 L C-CA--0.083109 -1 48.8930000 69.3160000 43.0460000 L H-HA-0.098466 -1 49.0320000 70.1320000 42.3560000 L C-C-0.547987 -1 48.3660000 72.7930000 43.1820000 L O-O--0.506795 -1 48.1880000 72.4480000 42.0090000 L N-N--0.088116 -1 49.1750000 73.8250000 43.5030000 L C-CT--0.011906 -1 49.9020000 74.5990000 42.5070000 L H-H1-0.043951 -1 49.2300000 74.9600000 41.7270000 L H-H1-0.043950 -1 50.6870000 73.9820000 42.0690000 L C-CT-0.013059 -1 50.5230000 75.7800000 43.2520000 L H-HC-0.019574 -1 49.8380000 76.6280000 43.2310000 L H-HC-0.019574 -1 51.4920000 76.0560000 42.8360000 L C-CT--0.003351 -1 50.6460000 75.2600000 44.6800000 L H-HC-0.019352 -1 50.6850000 76.0680000 45.4110000 L H-HC-0.019352 -1 51.5420000 74.6450000 44.7460000 L C-CT--0.034577 -1 49.4060000 74.3770000 44.8410000 L H-H1-0.059977 -1 49.6250000 73.5860000 45.5570000 L C-C-0.333720 -1 48.1930000 75.1860000 45.3330000 L O-O--0.434559 -1 47.3850000 75.6480000 44.5280000 L N-N--0.371290 -1 48.0740000 75.3850000 46.6510000 L H-H-0.234053 -1 48.7820000 74.9900000 47.2640000 L C-CT--0.030057 -1 46.9500000 76.0890000 47.2880000 L H-H1-0.102448 -1 46.5590000 76.8170000 46.5790000 L C-CT--0.098720 -1 45.8120000 75.0830000 47.5720000 L H-HC-0.060989 -1 44.9090000 75.6400000 47.8230000 L H-HC-0.060989 -1 45.5810000 74.5480000 46.6480000 L C-CA-0.021313 -1 46.0700000 74.0590000 48.6650000 L C-CA--0.083109 -1 45.5170000 74.2330000 49.9510000 L H-HA-0.098466 -1 44.9170000 75.1030000 50.1730000 L C-CA--0.156974 -1 45.7380000 73.2700000 50.9520000 L H-HA-0.123731 -1 45.3210000 73.4140000 51.9400000 L C-CA--0.099824 -1 46.5190000 72.1340000 50.6780000 L H-HA-0.114679 -1 46.7140000 71.4120000 51.4580000 L C-CA--0.156974 -1 47.0730000 71.9580000 49.3990000 L H-HA-0.123731 -1 47.7090000 71.1080000 49.1960000 L C-CA--0.083109 -1 46.8420000 72.9130000 48.3940000 L H-HA-0.098466 -1 47.2760000 72.7750000 47.4160000 L C-C-0.547987 -1 47.3740000 76.8990000 48.5330000 L O-O--0.506795 -1 48.5640000 76.9980000 48.8520000 L N-N--0.245382 -1 46.3930000 77.5080000 49.2160000 L H-H-0.255339 -1 45.4470000 77.3650000 48.8890000 L C-CT--0.271249 -1 46.5470000 78.3630000 50.4120000 L H-H1-0.163757 -1 47.4940000 78.1510000 50.9030000 L C-CT-0.237868 -1 46.5170000 79.8550000 50.0360000 L H-H1-0.044688 -1 45.5140000 80.1310000 49.7160000 L C-CT--0.176489 -1 46.9220000 80.7900000 51.1770000 L H-HC-0.060019 -1 47.9600000 80.6150000 51.4570000 L H-HC-0.060019 -1 46.8130000 81.8240000 50.8500000 L H-HC-0.060019 -1 46.2810000 80.6410000 52.0430000 L O-OH--0.601931 -1 47.4120000 80.0880000 48.9750000 L H-HO-0.405484 -1 46.9880000 79.7410000 48.1730000 L C-C-0.559878 -1 45.4050000 78.0570000 51.3780000 L O-O--0.552020 -1 44.2900000 77.7950000 50.9300000 L N-N--0.371290 -1 45.6760000 78.1040000 52.6830000 L H-H-0.234053 -1 46.6250000 78.3330000 52.9600000 L C-CT--0.030057 -1 44.6890000 77.9510000 53.7600000 L H-H1-0.102448 -1 43.7530000 78.4260000 53.4580000 L C-CT--0.098720 -1 44.4230000 76.4510000 53.9930000 L H-HC-0.060989 -1 43.9450000 76.0430000 53.1010000 L H-HC-0.060989 -1 45.3690000 75.9290000 54.1090000 L C-CA-0.021313 -1 43.5480000 76.1140000 55.1880000 L C-CA--0.083109 -1 42.1670000 76.3790000 55.1480000 L H-HA-0.098466 -1 41.7330000 76.8440000 54.2770000 L C-CA--0.156974 -1 41.3490000 76.0490000 56.2430000 L H-HA-0.123731 -1 40.2910000 76.2650000 56.2070000 L C-CA--0.099824 -1 41.9080000 75.4400000 57.3800000 L H-HA-0.114679 -1 41.2780000 75.1820000 58.2200000 L C-CA--0.156974 -1 43.2860000 75.1670000 57.4230000 L H-HA-0.123731 -1 43.7170000 74.6950000 58.2940000 L C-CA--0.083109 -1 44.1050000 75.5050000 56.3300000 L H-HA-0.098466 -1 45.1620000 75.2860000 56.3680000 L C-C-0.547987 -1 45.2010000 78.6590000 55.0270000 L O-O--0.506795 -1 46.3460000 78.4570000 55.4390000 L N-N--0.355153 -1 44.3530000 79.5000000 55.6320000 L H-H-0.262417 -1 43.4030000 79.5300000 55.2670000 L C-CT--0.101497 -1 44.6570000 80.4040000 56.7560000 L H-H1-0.136951 -1 43.8630000 81.1510000 56.7850000 L C-CT--0.144399 -1 44.6070000 79.6150000 58.0840000 L H-HC-0.052533 -1 45.4190000 78.8860000 58.0790000 L H-HC-0.052533 -1 44.7850000 80.3080000 58.9080000 L C-CT-0.191982 -1 43.2800000 78.8760000 58.3580000 L H-HC-0.000825 -1 43.0870000 78.1700000 57.5520000 L C-CT--0.123036 -1 43.4100000 78.0780000 59.6630000 L H-HC-0.022376 -1 43.5700000 78.7530000 60.5050000 L H-HC-0.022376 -1 42.4990000 77.5050000 59.8310000 L H-HC-0.022376 -1 44.2470000 77.3830000 59.5920000 L C-CT--0.123036 -1 42.0860000 79.8380000 58.4590000 L H-HC-0.022376 -1 41.1830000 79.2760000 58.6980000 L H-HC-0.022376 -1 42.2670000 80.5800000 59.2380000 L H-HC-0.022376 -1 41.9250000 80.3460000 57.5100000 L C-C-0.573471 -1 45.9500000 81.2330000 56.5810000 L O-O--0.557847 -1 46.6560000 81.5120000 57.5560000 L N-N--0.374282 -1 46.2940000 81.6070000 55.3420000 L H-H-0.253981 -1 45.6510000 81.3770000 54.5920000 L C-CT--0.128844 -1 47.4940000 82.3940000 55.0040000 L H-HC-0.088859 -1 47.3430000 82.8700000 54.0360000 L H-HC-0.088859 -1 47.6480000 83.1630000 55.7630000 L C-C-0.580584 -1 48.7940000 81.5850000 54.9110000 L O-O--0.509157 -1 49.7810000 82.0810000 54.3640000 L N-N--0.430106 -1 48.8040000 80.3400000 55.3970000 L H-H-0.254543 -1 47.9430000 79.9740000 55.7780000 L C-CT-0.044609 -1 49.8700000 79.3810000 55.1020000 L H-H1-0.059601 -1 50.8310000 79.8970000 55.1670000 L C-CT--0.093650 -1 49.8550000 78.2590000 56.1560000 L H-HC-0.043321 -1 49.8890000 78.7010000 57.1520000 L H-HC-0.043321 -1 48.9260000 77.6990000 56.0650000 L C-C-0.583519 -1 51.0420000 77.3030000 56.0270000 L O-O--0.526813 -1 52.1040000 77.6550000 55.5320000 L N-N--0.781735 -1 50.8970000 76.0590000 56.4390000 L H-H-0.355079 -1 51.6600000 75.4190000 56.2440000 L H-H-0.355079 -1 49.9940000 75.7080000 56.7210000 L C-C-0.617141 -1 49.7040000 78.8340000 53.6700000 L O-O--0.523909 -1 48.5920000 78.7740000 53.1390000 L N-N--0.435875 -1 50.8030000 78.4090000 53.0480000 L H-H-0.251302 -1 51.6660000 78.3810000 53.5780000 L C-CT--0.038773 -1 50.8540000 77.9960000 51.6410000 L H-H1-0.129478 -1 49.8610000 78.0870000 51.2000000 L C-CT--0.108273 -1 51.7860000 78.9450000 50.8570000 L H-HC-0.045214 -1 52.8170000 78.7920000 51.1800000 L H-HC-0.045214 -1 51.7180000 78.7030000 49.7950000 L C-CT-0.033341 -1 51.4100000 80.4280000 51.0590000 L H-HC-0.010208 -1 50.3400000 80.5520000 50.8950000 L H-HC-0.010208 -1 51.6400000 80.7170000 52.0860000 L C-CT--0.047841 -1 52.1670000 81.3660000 50.1120000 L H-HC-0.070715 -1 53.2310000 81.1370000 50.1590000 L H-HC-0.070715 -1 51.8120000 81.2080000 49.0920000 L C-CT--0.069974 -1 51.9270000 82.8260000 50.5290000 L H-HP-0.119522 -1 50.8490000 83.0080000 50.5460000 L H-HP-0.119522 -1 52.3140000 82.9760000 51.5400000 L N-N3--0.250358 -1 52.5680000 83.7900000 49.6030000 L H-H-0.294561 -1 53.5770000 83.7000000 49.6130000 L H-H-0.294561 -1 52.2200000 83.6660000 48.6570000 L H-H-0.294561 -1 52.3590000 84.7450000 49.8800000 L C-C-0.725129 -1 51.2490000 76.5140000 51.5180000 L O-O--0.563157 -1 51.8910000 75.9510000 52.4100000 L N-N--0.487560 -1 50.8080000 75.8730000 50.4320000 L H-H-0.263521 -1 50.2640000 76.3990000 49.7590000 L C-CT-0.009614 -1 50.7910000 74.4130000 50.2990000 L H-H1-0.095501 -1 51.5540000 73.9830000 50.9450000 L C-CT--0.051853 -1 49.4390000 73.8670000 50.7830000 L H-HC-0.019145 -1 48.6530000 74.2730000 50.1450000 L H-HC-0.019145 -1 49.4450000 72.7850000 50.6540000 L C-CA-0.112601 -1 49.0800000 74.1710000 52.2250000 L C-CA--0.183461 -1 48.3650000 75.3450000 52.5290000 L H-HA-0.132715 -1 48.0810000 76.0200000 51.7360000 L C-CA--0.181823 -1 48.0360000 75.6490000 53.8600000 L H-HA-0.137303 -1 47.5200000 76.5670000 54.0900000 L C-C-0.206277 -1 48.3820000 74.7580000 54.8960000 L O-OH--0.421233 -1 48.0300000 75.0550000 56.1780000 L H-HO-0.329691 -1 47.4990000 75.8550000 56.2270000 L C-CA--0.181823 -1 49.1000000 73.5780000 54.5960000 L H-HA-0.137303 -1 49.3800000 72.9020000 55.3920000 L C-CA--0.183461 -1 49.4540000 73.2920000 53.2620000 L H-HA-0.132715 -1 50.0140000 72.3950000 53.0340000 L C-C-0.622290 -1 51.0840000 73.9650000 48.8550000 L O-O--0.526607 -1 50.1830000 73.8740000 48.0200000 L N-N--0.423392 -1 52.3540000 73.6930000 48.5480000 L H-H-0.306811 -1 53.0520000 73.8360000 49.2730000 L C-CT-0.031633 -1 52.7900000 73.1020000 47.2740000 L H-H1-0.065100 -1 52.4010000 73.7110000 46.4620000 L C-CT-0.074772 -1 54.3260000 73.1020000 47.1810000 L H-HC--0.003535 -1 54.7190000 72.4840000 47.9870000 L H-HC--0.003535 -1 54.6190000 72.6560000 46.2300000 L C-CT--0.033909 -1 54.9380000 74.5100000 47.2680000 L H-HC--0.004135 -1 54.5060000 75.1280000 46.4790000 L H-HC--0.004135 -1 54.6890000 74.9600000 48.2290000 L C-C-0.765188 -1 56.4610000 74.5190000 47.1220000 L O-O2--0.824035 -1 57.0210000 75.5560000 46.6910000 L O-O2--0.824035 -1 57.1440000 73.5180000 47.4500000 L C-C-0.469735 -1 52.2670000 71.6660000 47.0710000 L O-O--0.592528 -1 52.1140000 71.2180000 45.9370000 L N-N--0.541430 -1 51.9720000 70.9500000 48.1560000 L H-H-0.345415 -1 52.1180000 71.3870000 49.0610000 L C-CT-0.118140 -1 51.4790000 69.5660000 48.1790000 L H-H1-0.142177 -1 50.9280000 69.3620000 47.2610000 L C-CT-0.146998 -1 52.6780000 68.6010000 48.2380000 L H-H1-0.040081 -1 53.3980000 68.9530000 48.9780000 L H-H1-0.040081 -1 52.3410000 67.6030000 48.5210000 L O-OH--0.640312 -1 53.2860000 68.5200000 46.9610000 L H-HO-0.446255 -1 54.1860000 68.1420000 47.0400000 L C-C-0.483424 -1 50.5110000 69.3310000 49.3600000 L O-O--0.580829 -1 50.2770000 70.2240000 50.1770000 L N-N--0.435921 -1 49.9080000 68.1390000 49.4510000 L H-H-0.290077 -1 50.1790000 67.4120000 48.8060000 L C-CT--0.030547 -1 48.9030000 67.7940000 50.4720000 L H-H1-0.132146 -1 48.0840000 68.5070000 50.3870000 L C-CT--0.033006 -1 48.3550000 66.3950000 50.1610000 L H-H1-0.078951 -1 47.6010000 66.1320000 50.9040000 L H-H1-0.078951 -1 47.8640000 66.4260000 49.1880000 L S-S--0.132272 -1 49.6010000 65.0800000 50.1240000 L C-C-0.624788 -1 49.3870000 67.8850000 51.9350000 L O-O--0.573167 -1 50.5890000 67.8280000 52.2110000 L N-N--0.245382 -1 48.4180000 67.9740000 52.8610000 L H-H-0.255339 -1 47.4580000 67.9440000 52.5340000 L C-CT--0.271249 -1 48.5910000 68.1400000 54.3160000 L H-H1-0.163757 -1 49.6090000 67.8590000 54.5870000 L C-CT-0.237868 -1 48.3810000 69.6180000 54.6960000 L H-H1-0.044688 -1 49.0720000 70.2360000 54.1180000 L C-CT--0.176489 -1 46.9530000 70.1210000 54.4520000 L H-HC-0.060019 -1 46.6740000 69.9800000 53.4090000 L H-HC-0.060019 -1 46.2450000 69.5860000 55.0850000 L H-HC-0.060019 -1 46.9010000 71.1840000 54.6860000 L O-OH--0.601931 -1 48.6490000 69.7980000 56.0670000 L H-HO-0.405484 -1 49.5900000 70.0680000 56.1580000 L C-C-0.559878 -1 47.6330000 67.2260000 55.0780000 L O-O--0.552020 -1 46.6840000 66.6950000 54.5080000 L N-N--0.541430 -1 47.8580000 67.0870000 56.3800000 L H-H-0.345415 -1 48.6790000 67.5510000 56.7470000 L C-CT-0.118140 -1 46.9690000 66.4150000 57.3400000 L H-H1-0.142177 -1 46.1520000 65.9220000 56.8110000 L C-CT-0.146998 -1 47.7600000 65.3530000 58.1190000 L H-H1-0.040081 -1 48.5740000 65.8420000 58.6500000 L H-H1-0.040081 -1 47.1170000 64.8920000 58.8670000 L O-OH--0.640312 -1 48.2810000 64.3360000 57.2760000 L H-HO-0.446255 -1 47.5560000 63.6890000 57.1490000 L C-C-0.483424 -1 46.3270000 67.3890000 58.3480000 L O-O--0.580829 -1 45.5660000 66.9510000 59.2140000 L N-N--0.404773 -1 46.6360000 68.6920000 58.2760000 L H-H-0.294276 -1 47.2440000 69.0030000 57.5260000 L C-CT--0.027733 -1 46.0200000 69.7310000 59.1070000 L H-H1-0.120802 -1 46.0610000 69.4220000 60.1540000 L C-CT--0.229951 -1 46.8460000 71.0150000 58.9410000 L H-HC-0.077428 -1 46.4570000 71.7980000 59.5930000 L H-HC-0.077428 -1 47.8870000 70.8250000 59.2070000 L H-HC-0.077428 -1 46.8020000 71.3570000 57.9050000 L C-C-0.570224 -1 44.5390000 69.9630000 58.7410000 L O-O--0.555129 -1 44.0820000 69.5540000 57.6740000 L N-N--0.374282 -1 43.7810000 70.6370000 59.6130000 L H-H-0.253981 -1 44.1900000 70.9120000 60.5040000 L C-CT--0.128844 -1 42.3760000 71.0040000 59.3780000 L H-HC-0.088859 -1 42.0790000 71.7550000 60.1110000 L H-HC-0.088859 -1 42.2770000 71.4160000 58.3730000 L C-C-0.580584 -1 41.3890000 69.8370000 59.4890000 L O-O--0.509157 -1 40.2480000 69.9770000 59.0520000 L N-N--0.300879 -1 41.8180000 68.7030000 60.0580000 L H-H-0.233693 -1 42.7610000 68.7040000 60.4170000 L C-CT--0.131381 -1 41.0690000 67.4390000 60.1480000 L H-H1-0.053266 -1 40.0010000 67.6370000 60.0380000 L C-CT-0.036707 -1 41.5120000 66.4970000 59.0080000 L H-HC-0.028012 -1 42.5990000 66.4050000 59.0070000 L H-HC-0.028012 -1 41.0950000 65.5070000 59.1880000 L C-CT-0.012454 -1 41.0380000 66.9810000 57.6270000 L H-HC-0.002964 -1 39.9780000 67.2340000 57.6750000 L H-HC-0.002964 -1 41.5920000 67.8790000 57.3550000 L C-CT-0.126329 -1 41.2490000 65.9220000 56.5360000 L H-H1-0.068148 -1 41.0370000 66.3680000 55.5630000 L H-H1-0.068148 -1 42.2940000 65.6080000 56.5370000 L N-N2--0.464890 -1 40.3840000 64.7470000 56.7430000 L H-H-0.326274 -1 40.7600000 63.9890000 57.3110000 L C-CA-0.565543 -1 39.1220000 64.6200000 56.3590000 L N-N2--0.685774 -1 38.4680000 65.5410000 55.6870000 L H-H-0.391052 -1 38.8860000 66.4450000 55.4720000 L H-H-0.391052 -1 37.4920000 65.3760000 55.4670000 L N-N2--0.685774 -1 38.4550000 63.5320000 56.6620000 L H-H-0.391052 -1 38.8640000 62.8130000 57.2580000 L H-H-0.391052 -1 37.4850000 63.4690000 56.3750000 L C-C-0.730308 -1 41.2690000 66.7600000 61.5110000 L O-O--0.578332 -1 42.1110000 67.1750000 62.3110000 L N-N--0.541430 -1 40.5160000 65.7010000 61.7900000 L H-H-0.345415 -1 39.7560000 65.4830000 61.1430000 L C-CT-0.118140 -1 40.5730000 64.9230000 63.0430000 L H-H1-0.142177 -1 41.3090000 65.3670000 63.7150000 L C-CT-0.146998 -1 39.2190000 65.0070000 63.7710000 L H-H1-0.040081 -1 39.1960000 64.2900000 64.5930000 L H-H1-0.040081 -1 39.1190000 66.0080000 64.1930000 L O-OH--0.640312 -1 38.1130000 64.7820000 62.9110000 L H-HO-0.446255 -1 38.0900000 63.8220000 62.6570000 L C-C-0.483424 -1 41.0400000 63.4640000 62.8420000 L O-O--0.580829 -1 41.2640000 62.7450000 63.8210000 L N-N--0.558201 -1 41.2660000 63.0440000 61.5920000 L H-H-0.319676 -1 40.9890000 63.6610000 60.8390000 L C-CT-0.007225 -1 41.7870000 61.7260000 61.1860000 L H-H1-0.082375 -1 41.8930000 61.0920000 62.0640000 L C-CT--0.047555 -1 40.7600000 61.0380000 60.2720000 L H-HC--0.014836 -1 41.1610000 60.0810000 59.9380000 L H-HC--0.014836 -1 39.8720000 60.8230000 60.8670000 L C-C-0.745168 -1 40.3460000 61.8510000 59.0390000 L O-O2--0.730385 -1 41.1290000 62.6970000 58.5490000 L O-O2--0.730385 -1 39.2150000 61.6260000 58.5580000 L C-C-0.443199 -1 43.1730000 61.7870000 60.5060000 L O-O--0.501445 -1 43.8070000 60.7510000 60.2870000 L N-N--0.374282 -1 43.6490000 62.9910000 60.1690000 L H-H-0.253981 -1 43.0680000 63.7870000 60.3760000 L C-CT--0.128844 -1 44.9350000 63.2300000 59.5080000 L H-HC-0.088859 -1 45.1400000 64.2990000 59.5380000 L H-HC-0.088859 -1 45.7140000 62.6940000 60.0500000 L C-C-0.580584 -1 45.0090000 62.7760000 58.0450000 L O-O--0.509157 -1 46.0930000 62.8170000 57.4630000 L N-N--0.435875 -1 43.9030000 62.3480000 57.4270000 L H-H-0.251302 -1 43.0220000 62.3760000 57.9340000 L C-CT--0.038773 -1 43.8930000 61.8590000 56.0400000 L H-H1-0.129478 -1 44.5770000 61.0140000 55.9780000 L C-CT--0.108273 -1 42.4850000 61.3520000 55.6790000 L H-HC-0.045214 -1 41.7530000 62.1280000 55.9060000 L H-HC-0.045214 -1 42.4470000 61.1470000 54.6070000 L C-CT-0.033341 -1 42.1300000 60.0580000 56.4330000 L H-HC-0.010208 -1 42.8190000 59.2680000 56.1280000 L H-HC-0.010208 -1 42.2370000 60.2140000 57.5060000 L C-CT--0.047841 -1 40.6870000 59.6240000 56.1370000 L H-HC-0.070715 -1 40.0130000 60.4280000 56.4330000 L H-HC-0.070715 -1 40.5560000 59.4690000 55.0670000 L C-CT--0.069974 -1 40.2920000 58.3550000 56.9080000 L H-HP-0.119522 -1 40.5510000 58.4780000 57.9630000 L H-HP-0.119522 -1 39.2050000 58.2440000 56.8450000 L N-N3--0.250358 -1 40.9310000 57.1330000 56.3620000 L H-H-0.294561 -1 41.9430000 57.1650000 56.4090000 L H-H-0.294561 -1 40.6440000 56.3100000 56.8820000 L H-H-0.294561 -1 40.6740000 57.0010000 55.3870000 L C-C-0.725129 -1 44.4000000 62.9330000 55.0550000 L O-O--0.563157 -1 43.8290000 64.0190000 54.9700000 L N-N--0.394918 -1 45.4840000 62.6330000 54.3260000 L H-H-0.280537 -1 45.8980000 61.7200000 54.4730000 L C-CT--0.087681 -1 46.1560000 63.5450000 53.3840000 L H-H1-0.123080 -1 46.5450000 64.3880000 53.9530000 L C-CT-0.019227 -1 47.3470000 62.8330000 52.7190000 L H-HC-0.048840 -1 47.0740000 61.8080000 52.4650000 L H-HC-0.048840 -1 47.6010000 63.3470000 51.7910000 L C-CT--0.208167 -1 48.5930000 62.8310000 53.6110000 L H-H1-0.124228 -1 48.3380000 62.4590000 54.6040000 L H-H1-0.124228 -1 49.3220000 62.1460000 53.1770000 L S-S--0.211958 -1 49.3720000 64.4600000 53.7680000 L C-CT--0.284698 -1 50.9370000 63.9730000 54.5310000 L H-H1-0.128394 -1 51.4750000 63.2950000 53.8680000 L H-H1-0.128394 -1 51.5550000 64.8560000 54.6930000 L H-H1-0.128394 -1 50.7530000 63.4740000 55.4830000 L C-C-0.599684 -1 45.2090000 64.1130000 52.3180000 L O-O--0.566424 -1 44.6450000 63.3540000 51.5200000 L N-N--0.427579 -1 45.0780000 65.4430000 52.2840000 L H-H-0.241716 -1 45.5750000 65.9820000 52.9880000 L C-CT--0.020082 -1 44.1310000 66.1850000 51.4440000 L H-H1-0.106629 -1 43.9130000 65.5940000 50.5560000 L C-CT--0.098364 -1 42.8170000 66.3680000 52.2270000 L H-HC-0.065424 -1 42.0360000 66.6380000 51.5180000 L H-HC-0.065424 -1 42.5230000 65.4130000 52.6650000 L C-C*--0.099797 -1 42.8230000 67.4050000 53.3130000 L C-CW--0.174053 -1 43.5540000 67.3560000 54.4490000 L H-H4-0.170633 -1 44.2260000 66.5530000 54.7180000 L N-NA--0.298433 -1 43.3140000 68.4820000 55.2090000 L H-H-0.322375 -1 43.7600000 68.6760000 56.1050000 L C-CN-0.141523 -1 42.3790000 69.3020000 54.6260000 L C-CA--0.210701 -1 41.7830000 70.5080000 55.0200000 L H-HA-0.125512 -1 42.0590000 70.9670000 55.9590000 L C-CA--0.133022 -1 40.8270000 71.1070000 54.1830000 L H-HA-0.119467 -1 40.3570000 72.0380000 54.4730000 L C-CA--0.164054 -1 40.4860000 70.4920000 52.9660000 L H-HA-0.119250 -1 39.7480000 70.9510000 52.3240000 L C-CA--0.153992 -1 41.0960000 69.2810000 52.5840000 L H-HA-0.123084 -1 40.8250000 68.8140000 51.6550000 L C-CB-0.089641 -1 42.0540000 68.6470000 53.4020000 L C-C-0.584129 -1 44.6900000 67.5390000 50.9540000 L O-O--0.494730 -1 45.7570000 67.9870000 51.3870000 L N-N--0.435921 -1 43.9910000 68.1640000 50.0000000 L H-H-0.290077 -1 43.1470000 67.7120000 49.6580000 L C-CT--0.030547 -1 44.3930000 69.4010000 49.3080000 L H-H1-0.132146 -1 44.7030000 70.1350000 50.0530000 L C-CT--0.033006 -1 45.6060000 69.0820000 48.4160000 L H-H1-0.078951 -1 45.7400000 69.8720000 47.6850000 L H-H1-0.078951 -1 46.4880000 69.0960000 49.0510000 L S-S--0.132272 -1 45.6070000 67.4790000 47.5610000 L C-C-0.624788 -1 43.2170000 70.0440000 48.5320000 L O-O--0.573167 -1 42.1760000 69.4090000 48.3570000 L N-N--0.404773 -1 43.3370000 71.3090000 48.1000000 L H-H-0.294276 -1 44.2470000 71.7480000 48.1210000 L C-CT--0.027733 -1 42.1960000 72.1710000 47.7420000 L H-H1-0.120802 -1 41.2650000 71.6400000 47.9230000 L C-CT--0.229951 -1 42.2150000 73.3880000 48.6740000 L H-HC-0.077428 -1 42.1530000 73.0690000 49.7150000 L H-HC-0.077428 -1 43.1300000 73.9580000 48.5210000 L H-HC-0.077428 -1 41.3710000 74.0360000 48.4370000 L C-C-0.570224 -1 42.2050000 72.6260000 46.2720000 L O-O--0.555129 -1 43.1980000 73.1790000 45.8070000 L N-N--0.245382 -1 41.0860000 72.4520000 45.5500000 L H-H-0.255339 -1 40.2530000 72.1400000 46.0350000 L C-CT--0.271249 -1 40.9510000 72.6990000 44.0940000 L H-H1-0.163757 -1 41.8650000 72.3510000 43.6140000 L C-CT-0.237868 -1 39.7850000 71.8870000 43.5030000 L H-H1-0.044688 -1 39.6700000 72.1300000 42.4460000 L C-CT--0.176489 -1 39.9910000 70.3790000 43.6030000 L H-HC-0.060019 -1 40.9070000 70.1100000 43.0780000 L H-HC-0.060019 -1 40.0510000 70.0700000 44.6450000 L H-HC-0.060019 -1 39.1550000 69.8660000 43.1280000 L O-OH--0.601931 -1 38.5950000 72.1950000 44.1810000 L H-HO-0.405484 -1 38.0640000 72.7410000 43.5780000 L C-C-0.559878 -1 40.8600000 74.1850000 43.7100000 L O-O--0.552020 -1 40.3080000 74.5130000 42.6540000 L N-N--0.245382 -1 41.3880000 75.0840000 44.5490000 L H-H-0.255339 -1 41.8790000 74.7220000 45.3580000 L C-CT--0.271249 -1 41.4850000 76.5360000 44.3380000 L H-H1-0.163757 -1 41.5550000 76.7340000 43.2720000 L C-CT-0.237868 -1 40.2560000 77.2830000 44.8870000 L H-H1-0.044688 -1 40.4810000 78.3500000 44.8990000 L C-CT--0.176489 -1 39.0080000 77.0760000 44.0320000 L H-HC-0.060019 -1 38.2160000 77.7380000 44.3800000 L H-HC-0.060019 -1 39.2270000 77.3040000 42.9880000 L H-HC-0.060019 -1 38.6620000 76.0470000 44.1170000 L O-OH--0.601931 -1 39.9340000 76.8680000 46.1930000 L H-HO-0.405484 -1 40.2980000 77.5270000 46.8050000 L C-C-0.559878 -1 42.7570000 77.0510000 45.0050000 L O-O--0.552020 -1 43.0740000 76.6490000 46.1230000 L N-N--0.404773 -1 43.4630000 77.9820000 44.3510000 L H-H-0.294276 -1 43.1840000 78.2040000 43.4040000 L C-CT--0.027733 -1 44.7190000 78.5810000 44.8420000 L H-H1-0.120802 -1 45.4520000 77.7770000 44.9230000 L C-CT--0.229951 -1 45.2280000 79.5750000 43.7910000 L H-HC-0.077428 -1 46.1980000 79.9690000 44.0970000 L H-HC-0.077428 -1 45.3390000 79.0760000 42.8270000 L H-HC-0.077428 -1 44.5390000 80.4100000 43.6880000 L C-C-0.570224 -1 44.6280000 79.2330000 46.2420000 L O-O--0.555129 -1 45.6460000 79.4580000 46.9020000 L N-N--0.430106 -1 43.4120000 79.4930000 46.7180000 L H-H-0.254543 -1 42.6410000 79.3060000 46.0960000 L C-CT-0.044609 -1 43.0650000 79.6810000 48.1240000 L H-H1-0.059601 -1 43.8670000 79.3070000 48.7580000 L C-CT--0.093650 -1 42.8470000 81.1760000 48.4010000 L H-HC-0.043321 -1 43.7900000 81.7100000 48.2980000 L H-HC-0.043321 -1 42.1460000 81.5760000 47.6680000 L C-C-0.583519 -1 42.3010000 81.4250000 49.8030000 L O-O--0.526813 -1 42.8530000 80.9650000 50.7950000 L N-N--0.781735 -1 41.1830000 82.1150000 49.9240000 L H-H-0.355079 -1 40.8460000 82.3200000 50.8490000 L H-H-0.355079 -1 40.7260000 82.5160000 49.1070000 L C-C-0.617141 -1 41.8000000 78.8680000 48.4260000 L O-O--0.523909 -1 40.8150000 78.9720000 47.6920000 L N-N--0.487560 -1 41.8090000 78.0590000 49.4880000 L H-H-0.263521 -1 42.6510000 78.0000000 50.0550000 L C-CT-0.009614 -1 40.6500000 77.2550000 49.8860000 L H-H1-0.095501 -1 40.3580000 76.6150000 49.0510000 L C-CT--0.051853 -1 41.0320000 76.3500000 51.0680000 L H-HC-0.019145 -1 41.8050000 75.6530000 50.7410000 L H-HC-0.019145 -1 41.4660000 76.9670000 51.8560000 L C-CA-0.112601 -1 39.8720000 75.5550000 51.6530000 L C-CA--0.183461 -1 39.2160000 76.0190000 52.8110000 L H-HA-0.132715 -1 39.5360000 76.9370000 53.2830000 L C-CA--0.181823 -1 38.1430000 75.2940000 53.3630000 L H-HA-0.137303 -1 37.6520000 75.6590000 54.2520000 L C-C-0.206277 -1 37.7180000 74.0900000 52.7560000 L O-OH--0.421233 -1 36.6720000 73.3870000 53.2700000 L H-HO-0.329691 -1 36.2910000 73.8100000 54.0510000 L C-CA--0.181823 -1 38.3680000 73.6270000 51.5910000 L H-HA-0.137303 -1 38.0400000 72.7110000 51.1270000 L C-CA--0.183461 -1 39.4350000 74.3630000 51.0410000 L H-HA-0.132715 -1 39.9160000 74.0060000 50.1450000 L C-C-0.622290 -1 39.4360000 78.1290000 50.2340000 L O-O--0.526607 -1 38.3410000 77.8550000 49.7600000 L N-N--0.558201 -1 39.6210000 79.1950000 51.0190000 L H-H-0.319676 -1 40.5580000 79.3890000 51.3430000 L C-CT-0.007225 -1 38.5100000 79.9550000 51.6120000 L H-H1-0.082375 -1 37.8780000 79.2440000 52.1440000 L C-CT--0.047555 -1 39.0670000 80.9440000 52.6360000 L H-HC--0.014836 -1 39.7930000 80.4270000 53.2570000 L H-HC--0.014836 -1 39.5740000 81.7590000 52.1190000 L C-C-0.745168 -1 37.9700000 81.4990000 53.5400000 L O-O2--0.730385 -1 37.3600000 80.6970000 54.2880000 L O-O2--0.730385 -1 37.7230000 82.7290000 53.5190000 L C-C-0.443199 -1 37.6090000 80.6960000 50.6110000 L O-O--0.501445 -1 36.4840000 81.0480000 50.9600000 L N-N--0.558201 -1 38.0800000 80.9160000 49.3800000 L H-H-0.319676 -1 39.0150000 80.5920000 49.1750000 L C-CT-0.007225 -1 37.2940000 81.5060000 48.2920000 L H-H1-0.082375 -1 36.9710000 82.5060000 48.5860000 L C-CT--0.047555 -1 38.1550000 81.6120000 47.0190000 L H-HC--0.014836 -1 38.8990000 80.8140000 47.0000000 L H-HC--0.014836 -1 37.5110000 81.4650000 46.1520000 L C-C-0.745168 -1 38.8500000 82.9650000 46.8680000 L O-O2--0.730385 -1 39.6880000 83.3140000 47.7320000 L O-O2--0.730385 -1 38.5760000 83.6700000 45.8660000 L C-C-0.443199 -1 36.0270000 80.6970000 47.9810000 L O-O--0.501445 -1 34.9750000 81.2880000 47.7350000 L N-N--0.558201 -1 36.1140000 79.3630000 47.9950000 L H-H-0.319676 -1 37.0030000 78.9640000 48.2710000 L C-CT-0.007225 -1 35.0490000 78.4810000 47.4860000 L H-H1-0.082375 -1 34.0950000 78.9800000 47.6640000 L C-CT--0.047555 -1 35.2530000 78.3330000 45.9690000 L H-HC--0.014836 -1 35.4820000 79.3070000 45.5310000 L H-HC--0.014836 -1 36.0980000 77.6680000 45.7830000 L C-C-0.745168 -1 34.0070000 77.7980000 45.2760000 L O-O2--0.730385 -1 32.8820000 78.2030000 45.6460000 L O-O2--0.730385 -1 34.1300000 76.9570000 44.3570000 L C-C-0.443199 -1 34.9430000 77.1010000 48.1730000 L O-O--0.501445 -1 33.9870000 76.3580000 47.9470000 L N-N--0.300879 -1 35.9010000 76.7870000 49.0490000 L H-H-0.233693 -1 36.6470000 77.4620000 49.1650000 L C-CT--0.131381 -1 35.9100000 75.6830000 50.0160000 L H-H1-0.053266 -1 36.9240000 75.6630000 50.4130000 L C-CT-0.036707 -1 35.0030000 76.0430000 51.2130000 L H-HC-0.028012 -1 33.9620000 76.0880000 50.8870000 L H-HC-0.028012 -1 35.1000000 75.2760000 51.9810000 L C-CT-0.012454 -1 35.4120000 77.4100000 51.8080000 L H-HC-0.002964 -1 36.4840000 77.4060000 52.0030000 L H-HC-0.002964 -1 35.1960000 78.1960000 51.0830000 L C-CT-0.126329 -1 34.6910000 77.7700000 53.1070000 L H-H1-0.068148 -1 33.6210000 77.6240000 52.9740000 L H-H1-0.068148 -1 35.0300000 77.0990000 53.8980000 L N-N2--0.464890 -1 34.9840000 79.1660000 53.4880000 L H-H-0.326274 -1 35.9590000 79.4160000 53.6100000 L C-CA-0.565543 -1 34.1240000 80.1530000 53.7080000 L N-N2--0.685774 -1 32.8200000 80.0290000 53.6180000 L H-H-0.391052 -1 32.3970000 79.1800000 53.2630000 L H-H-0.391052 -1 32.2450000 80.8220000 53.8880000 L N-N2--0.685774 -1 34.5790000 81.3340000 54.0430000 L H-H-0.391052 -1 35.5780000 81.4800000 54.1200000 L H-H-0.391052 -1 33.9130000 82.0690000 54.2510000 L C-C-0.730308 -1 35.7180000 74.2910000 49.3840000 L O-O--0.578332 -1 34.9210000 73.4660000 49.8430000 L N-N--0.435875 -1 36.4850000 74.0320000 48.3160000 L H-H-0.251302 -1 37.1260000 74.7600000 48.0370000 L C-CT--0.038773 -1 36.4670000 72.8150000 47.4860000 L H-H1-0.129478 -1 35.6590000 72.1590000 47.8050000 L C-CT--0.108273 -1 36.2280000 73.2340000 46.0230000 L H-HC-0.045214 -1 37.0580000 73.8670000 45.7030000 L H-HC-0.045214 -1 36.2580000 72.3400000 45.4060000 L C-CT-0.033341 -1 34.9250000 73.9810000 45.7010000 L H-HC-0.010208 -1 35.0220000 75.0070000 46.0470000 L H-HC-0.010208 -1 34.8200000 74.0080000 44.6150000 L C-CT--0.047841 -1 33.6590000 73.3550000 46.3080000 L H-HC-0.070715 -1 33.6920000 72.2760000 46.1740000 L H-HC-0.070715 -1 33.6210000 73.5600000 47.3790000 L C-CT--0.069974 -1 32.3780000 73.8810000 45.6480000 L H-HP-0.119522 -1 32.4030000 73.6530000 44.5790000 L H-HP-0.119522 -1 31.5240000 73.3520000 46.0810000 L 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35.6820000 40.2670000 L C-CA--0.156974 0 49.6700000 34.7240000 41.0330000 L H-HA-0.123731 0 50.1240000 34.6040000 40.0580000 L C-CA--0.083109 0 50.3300000 34.2430000 42.1780000 L H-HA-0.098466 0 51.2890000 33.7590000 42.0720000 L C-C-0.547987 0 50.4050000 32.5160000 46.8390000 L O-O--0.506795 0 50.1900000 31.3210000 46.6570000 L N-N--0.374282 0 51.1670000 32.9490000 47.8530000 L H-H-0.253981 0 51.3070000 33.9470000 47.9550000 L C-CT--0.128844 0 51.7410000 32.0700000 48.8780000 L H-HC-0.088859 0 52.3100000 31.2730000 48.3980000 L H-HC-0.088859 0 52.3980000 32.6530000 49.5240000 L C-C-0.580584 0 50.6660000 31.4230000 49.7490000 L O-O--0.509157 0 50.7010000 30.2130000 49.9710000 L N-N--0.506799 0 49.6570000 32.1830000 50.1820000 L H-H-0.351021 0 49.6650000 33.1730000 49.9450000 L C-CT-0.119066 0 48.4810000 31.6000000 50.8430000 L H-H1-0.137761 0 48.8230000 31.0270000 51.7040000 L C-CT--0.122638 0 47.5320000 32.6930000 51.3480000 L H-HC-0.086329 0 47.3120000 33.4030000 50.5510000 L 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28.7540000 47.3600000 L O-O--0.555129 0 47.2940000 27.7570000 46.9080000 L N-N--0.394918 0 49.1630000 28.7340000 47.6510000 L H-H-0.280537 0 49.6110000 29.6060000 47.9080000 L C-CT--0.087681 0 49.9570000 27.4900000 47.6580000 L H-H1-0.123080 0 49.7460000 26.9300000 46.7470000 L C-CT-0.019227 0 51.4740000 27.7670000 47.7030000 L H-HC-0.048840 0 51.7160000 28.3250000 48.6060000 L H-HC-0.048840 0 51.9870000 26.8080000 47.7700000 L C-CT--0.208167 0 52.0670000 28.5090000 46.4970000 L H-H1-0.124228 0 51.7050000 29.5330000 46.4840000 L H-H1-0.124228 0 53.1460000 28.5700000 46.6490000 L S-S--0.211958 0 51.7890000 27.7620000 44.8690000 L C-CT--0.284698 0 50.3690000 28.7490000 44.3290000 L H-H1-0.128394 0 49.5160000 28.5690000 44.9810000 L H-H1-0.128394 0 50.6250000 29.8090000 44.3620000 L H-H1-0.128394 0 50.1000000 28.4770000 43.3100000 L C-C-0.599684 0 49.5920000 26.5660000 48.8330000 L O-O--0.566424 0 49.8510000 25.3660000 48.7540000 L N-N--0.374282 0 49.0070000 27.1090000 49.9110000 L 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27.6720000 52.5460000 L H-HC-0.022376 0 54.4680000 28.0660000 53.3810000 L H-HC-0.022376 0 53.1910000 26.9220000 52.9170000 L H-HC-0.022376 0 54.5540000 27.1970000 51.8320000 L C-C-0.573471 0 50.0780000 29.4760000 54.2350000 L O-O--0.557847 0 48.9780000 29.8550000 53.8250000 L N-N--0.423392 0 50.5670000 29.8500000 55.4150000 L H-H-0.306811 0 51.4420000 29.4390000 55.7220000 L C-CT-0.031633 0 49.9550000 30.8410000 56.2970000 L H-H1-0.065100 0 49.3400000 31.4930000 55.6820000 L C-CT-0.074772 0 49.0640000 30.1400000 57.3450000 L H-HC--0.003535 0 49.4130000 29.1200000 57.5150000 L H-HC--0.003535 0 49.1380000 30.6600000 58.2950000 L C-CT--0.033909 0 47.5820000 30.1110000 56.9460000 L H-HC--0.004135 0 47.4580000 29.4510000 56.0860000 L H-HC--0.004135 0 47.0020000 29.7040000 57.7730000 L C-C-0.765188 0 47.0380000 31.5000000 56.6080000 L O-O2--0.824035 0 47.3990000 32.4890000 57.2920000 L O-O2--0.824035 0 46.3020000 31.6250000 55.6010000 L C-C-0.469735 0 50.9960000 31.7750000 56.9390000 L O-O--0.592528 0 52.2020000 31.6270000 56.7290000 L N-N--0.506799 0 50.5210000 32.7940000 57.6630000 L H-H-0.351021 0 49.5180000 32.8450000 57.8150000 L C-CT-0.119066 0 51.3490000 33.9060000 58.1410000 L H-H1-0.137761 0 51.7880000 34.3610000 57.2590000 L C-CT--0.122638 0 50.4760000 34.9580000 58.8520000 L H-HC-0.086329 0 49.8550000 34.4640000 59.6000000 L H-HC-0.086329 0 51.1290000 35.6510000 59.3850000 L C-CC--0.001547 0 49.6070000 35.7950000 57.9440000 L N-NA--0.205785 0 48.4630000 36.4690000 58.3060000 L H-H-0.318273 0 47.9990000 36.4510000 59.2100000 L C-CR-0.147273 0 48.0390000 37.1640000 57.2410000 L H-H5-0.122182 0 47.1520000 37.7860000 57.2430000 L N-NB--0.601482 0 48.8380000 36.9570000 56.1710000 L C-CV-0.043744 0 49.8550000 36.1120000 56.6340000 L H-H4-0.110157 0 50.6920000 35.7600000 56.0480000 L C-C-0.515947 0 52.5460000 33.5160000 59.0310000 L O-O--0.599831 0 52.4990000 32.5750000 59.8270000 L N-N--0.541430 0 53.5940000 34.3350000 58.9590000 L H-H-0.345415 0 53.5040000 35.1550000 58.3660000 L C-CT-0.118140 0 54.8280000 34.2480000 59.7490000 L H-H1-0.142177 0 54.7960000 33.3850000 60.4150000 L C-CT-0.146998 0 56.0150000 34.0590000 58.7840000 L H-H1-0.040081 0 55.8420000 33.1560000 58.1980000 L H-H1-0.040081 0 56.0660000 34.9090000 58.1020000 L O-OH--0.640312 0 57.2590000 33.9350000 59.4510000 L H-HO-0.446255 0 57.8990000 33.5090000 58.8380000 L C-C-0.483424 0 54.9870000 35.5150000 60.6090000 L O-O--0.580829 0 54.2990000 36.5170000 60.3900000 L N-N--0.387353 0 55.9010000 35.4900000 61.5810000 L H-H-0.300605 0 56.4630000 34.6490000 61.6900000 L C-CT-0.037470 0 56.1880000 36.6060000 62.4900000 L H-H1-0.152255 0 55.5690000 37.4640000 62.2220000 L C-CT--0.032112 0 55.8430000 36.1880000 63.9340000 L H-HC-0.030995 0 56.3380000 35.2440000 64.1680000 L H-HC-0.030995 0 56.2090000 36.9460000 64.6270000 L C-CT--0.020264 0 54.3280000 36.0440000 64.1570000 L H-HC-0.030791 0 53.8530000 37.0090000 63.9840000 L H-HC-0.030791 0 53.9220000 35.3290000 63.4410000 L 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60.9310000 39.1960000 60.8570000 L C-CT--0.011906 -1 62.0490000 38.7310000 61.6620000 L H-H1-0.043951 -1 62.7200000 38.1600000 61.0240000 L H-H1-0.043950 -1 61.7310000 38.1420000 62.5220000 L C-CT-0.013059 -1 62.7690000 39.9800000 62.1450000 L H-HC-0.019574 -1 63.8230000 39.7830000 62.3320000 L H-HC-0.019574 -1 62.2830000 40.3660000 63.0390000 L C-CT--0.003351 -1 62.5570000 40.9440000 60.9870000 L H-HC-0.019352 -1 63.2920000 40.7340000 60.2100000 L H-HC-0.019352 -1 62.6250000 41.9850000 61.3040000 L C-CT--0.034577 -1 61.1530000 40.5960000 60.4810000 L H-H1-0.059977 -1 60.4250000 41.2060000 61.0170000 L C-C-0.333720 -1 61.0680000 40.9380000 58.9860000 L O-O--0.434559 -1 60.8870000 42.1150000 58.6720000 L N-N--0.374282 -1 61.2190000 39.9750000 58.0630000 L H-H-0.253981 -1 61.4100000 39.0260000 58.3750000 L C-CT--0.128844 -1 61.2660000 40.2620000 56.6180000 L H-HC-0.088859 -1 60.6920000 41.1630000 56.4010000 L H-HC-0.088859 -1 62.3050000 40.4650000 56.3580000 L C-C-0.580584 -1 60.7770000 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32.9970000 53.7190000 L H-H1-0.124228 0 54.3570000 31.9360000 54.4060000 L S-S--0.211958 0 53.4500000 33.3100000 52.6690000 L C-CT--0.284698 0 51.8330000 33.1210000 53.4580000 L H-H1-0.128394 0 51.7900000 32.1790000 54.0020000 L H-H1-0.128394 0 51.6550000 33.9460000 54.1460000 L H-H1-0.128394 0 51.0580000 33.1330000 52.6920000 L C-C-0.599684 0 54.2640000 36.2920000 56.1480000 L O-O--0.566424 0 53.1830000 36.2100000 56.7300000 L N-N--0.404773 0 55.1810000 37.1910000 56.5250000 L H-H-0.294276 0 56.0590000 37.2320000 56.0160000 L C-CT--0.027733 0 54.8600000 38.3270000 57.3950000 L H-H1-0.120802 0 54.1560000 38.0030000 58.1620000 L C-CT--0.229951 0 56.1360000 38.7780000 58.1180000 L H-HC-0.077428 0 56.5350000 37.9560000 58.7150000 L H-HC-0.077428 0 56.8960000 39.1010000 57.4080000 L H-HC-0.077428 0 55.9020000 39.6090000 58.7850000 L C-C-0.570224 0 54.2360000 39.4550000 56.5330000 L O-O--0.555129 0 54.9050000 39.9320000 55.6120000 L N-N--0.088116 0 52.9760000 39.8800000 56.7700000 L 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C-CA-0.112601 -1 54.2650000 46.9590000 50.7200000 L C-CA--0.183461 -1 54.5520000 48.3380000 50.6900000 L H-HA-0.132715 -1 54.5020000 48.9220000 51.5990000 L C-CA--0.181823 -1 54.8870000 48.9690000 49.4780000 L H-HA-0.137303 -1 55.0940000 50.0300000 49.4640000 L C-C-0.206277 -1 54.9400000 48.2180000 48.2850000 L O-OH--0.421233 -1 55.2260000 48.8350000 47.1060000 L H-HO-0.329691 -1 55.3550000 49.7920000 47.2180000 L C-CA--0.181823 -1 54.6660000 46.8310000 48.3150000 L H-HA-0.137303 -1 54.7080000 46.2530000 47.4040000 L C-CA--0.183461 -1 54.3300000 46.2050000 49.5320000 L H-HA-0.132715 -1 54.1110000 45.1450000 49.5510000 L C-C-0.622290 -1 56.2200000 46.5300000 52.9590000 L O-O--0.526607 -1 56.1900000 47.4840000 53.7480000 L N-N--0.245382 -1 57.2400000 46.2830000 52.1220000 L H-H-0.255339 -1 57.1420000 45.4810000 51.5140000 L C-CT--0.271249 -1 58.4740000 47.0670000 51.9120000 L H-H1-0.163757 -1 58.3070000 48.1140000 52.1640000 L C-CT-0.237868 -1 59.6240000 46.4960000 52.7660000 L H-H1-0.044688 -1 59.8740000 45.4970000 52.4010000 L C-CT--0.176489 -1 60.8870000 47.3560000 52.7430000 L H-HC-0.060019 -1 61.6340000 46.9220000 53.4090000 L H-HC-0.060019 -1 61.3090000 47.3870000 51.7400000 L H-HC-0.060019 -1 60.6560000 48.3660000 53.0790000 L O-OH--0.601931 -1 59.2460000 46.3900000 54.1190000 L H-HO-0.405484 -1 58.9460000 47.2660000 54.4250000 L C-C-0.559878 -1 58.8360000 46.9520000 50.4270000 L O-O--0.552020 -1 58.5760000 45.9110000 49.8230000 L N-N--0.487560 -1 59.4700000 47.9710000 49.8400000 L H-H-0.263521 -1 59.6720000 48.7980000 50.3860000 L C-CT-0.009614 -1 59.8620000 47.9850000 48.4180000 L H-H1-0.095501 -1 59.7970000 46.9710000 48.0180000 L C-CT--0.051853 -1 58.8700000 48.8590000 47.6230000 L H-HC-0.019145 -1 57.9070000 48.3490000 47.5890000 L H-HC-0.019145 -1 58.7240000 49.8020000 48.1530000 L C-CA-0.112601 -1 59.3190000 49.1720000 46.2020000 L C-CA--0.183461 -1 59.1150000 48.2390000 45.1650000 L H-HA-0.132715 -1 58.5700000 47.3260000 45.3580000 L C-CA--0.181823 -1 59.6650000 48.4700000 43.8880000 L H-HA-0.137303 -1 59.5350000 47.7420000 43.1010000 L C-C-0.206277 -1 60.4420000 49.6280000 43.6460000 L O-OH--0.421233 -1 61.0380000 49.8110000 42.4350000 L H-HO-0.329691 -1 61.5910000 50.6050000 42.3960000 L C-CA--0.181823 -1 60.6150000 50.5790000 44.6750000 L H-HA-0.137303 -1 61.2110000 51.4640000 44.5000000 L C-CA--0.183461 -1 60.0440000 50.3530000 45.9410000 L H-HA-0.132715 -1 60.2050000 51.0730000 46.7320000 L C-C-0.622290 -1 61.3110000 48.4630000 48.1910000 L O-O--0.526607 -1 61.7620000 49.4380000 48.8030000 L N-N--0.245382 -1 61.9910000 47.8000000 47.2450000 L H-H-0.255339 -1 61.5320000 46.9900000 46.8430000 L C-CT--0.271249 -1 63.2710000 48.1510000 46.6000000 L H-H1-0.163757 -1 63.3530000 49.2360000 46.5130000 L C-CT-0.237868 -1 64.4810000 47.6220000 47.3920000 L H-H1-0.044688 -1 65.3900000 47.8320000 46.8260000 L C-CT--0.176489 -1 64.6370000 48.2620000 48.7700000 L H-HC-0.060019 -1 64.6000000 49.3470000 48.6770000 L H-HC-0.060019 -1 63.8500000 47.9170000 49.4390000 L H-HC-0.060019 -1 65.6010000 47.9810000 49.1940000 L O-OH--0.601931 -1 64.3650000 46.2290000 47.5640000 L H-HO-0.405484 -1 65.2120000 45.9150000 47.9440000 L C-C-0.559878 -1 63.2790000 47.5720000 45.1790000 L O-O--0.552020 -1 62.3560000 46.8580000 44.7850000 L N-N--0.435875 -1 64.3280000 47.8370000 44.3980000 L H-H-0.251302 -1 65.0610000 48.4260000 44.7700000 L C-CT--0.038773 -1 64.4910000 47.3400000 43.0150000 L H-H1-0.129478 -1 63.5900000 47.5910000 42.4520000 L C-CT--0.108273 -1 65.6870000 48.0690000 42.3760000 L H-HC-0.045214 -1 66.5560000 47.9350000 43.0210000 L H-HC-0.045214 -1 65.9120000 47.6090000 41.4140000 L C-CT-0.033341 -1 65.4250000 49.5620000 42.1170000 L H-HC-0.010208 -1 64.5960000 49.6550000 41.4140000 L H-HC-0.010208 -1 65.1510000 50.0680000 43.0420000 L C-CT--0.047841 -1 66.6630000 50.2400000 41.5120000 L H-HC-0.070715 -1 67.0040000 49.6690000 40.6460000 L H-HC-0.070715 -1 66.3870000 51.2420000 41.1780000 L C-CT--0.069974 -1 67.7850000 50.3480000 42.5520000 L H-HP-0.119522 -1 67.4690000 51.0450000 43.3340000 L H-HP-0.119522 -1 67.9560000 49.3780000 43.0250000 L N-N3--0.250358 -1 69.0510000 50.8210000 41.9560000 L H-H-0.294561 -1 69.6800000 51.1070000 42.7010000 L H-H-0.294561 -1 69.4940000 50.1020000 41.3910000 L H-H-0.294561 -1 68.8920000 51.6340000 41.3670000 L C-C-0.725129 -1 64.6740000 45.8080000 42.8620000 L O-O--0.563157 -1 64.8500000 45.3320000 41.7340000 L N-N--0.430106 -1 64.6580000 45.0340000 43.9530000 L H-H-0.254543 -1 64.4220000 45.4720000 44.8330000 L C-CT-0.044609 -1 64.9330000 43.5900000 43.9800000 L H-H1-0.059601 -1 64.8260000 43.1720000 42.9790000 L C-CT--0.093650 -1 66.3800000 43.3670000 44.4530000 L H-HC-0.043321 -1 66.5250000 43.8520000 45.4190000 L H-HC-0.043321 -1 66.5590000 42.3020000 44.5910000 L C-C-0.583519 -1 67.4030000 43.9030000 43.4590000 L O-O--0.526813 -1 68.0700000 44.9010000 43.7090000 L N-N--0.781735 -1 67.5480000 43.2750000 42.3060000 L H-H-0.355079 -1 68.1120000 43.7120000 41.5820000 L H-H-0.355079 -1 66.9690000 42.4600000 42.1100000 L C-C-0.617141 -1 63.9510000 42.8320000 44.8910000 L O-O--0.523909 -1 63.3870000 43.4130000 45.8220000 L N-N--0.371290 0 63.7580000 41.5340000 44.6310000 L H-H-0.234053 0 64.2660000 41.1160000 43.8560000 L C-CT--0.030057 0 62.8910000 40.6540000 45.4240000 L H-H1-0.102448 0 63.0510000 40.8550000 46.4850000 L C-CT--0.098720 0 61.4220000 40.9490000 45.0760000 L H-HC-0.060989 0 61.1810000 41.9710000 45.3700000 L H-HC-0.060989 0 61.2930000 40.8820000 43.9940000 L C-CA-0.021313 0 60.4380000 40.0110000 45.7490000 L C-CA--0.083109 0 60.1760000 40.1320000 47.1270000 L H-HA-0.098466 0 60.6570000 40.9090000 47.7060000 L C-CA--0.156974 0 59.2880000 39.2420000 47.7560000 L H-HA-0.123731 0 59.0920000 39.3370000 48.8150000 L C-CA--0.099824 0 58.6620000 38.2290000 47.0080000 L H-HA-0.114679 0 57.9790000 37.5440000 47.4860000 L C-CA--0.156974 0 58.9260000 38.1020000 45.6340000 L H-HA-0.123731 0 58.4490000 37.3200000 45.0610000 L C-CA--0.083109 0 59.8140000 38.9910000 45.0050000 L H-HA-0.098466 0 60.0220000 38.8820000 43.9490000 L C-C-0.547987 0 63.1940000 39.1720000 45.1520000 L O-O--0.506795 0 63.2530000 38.7560000 43.9920000 L N-N--0.300879 -1 63.3130000 38.3750000 46.2240000 L H-H-0.233693 -1 63.2170000 38.7940000 47.1390000 L C-CT--0.131381 -1 63.4830000 36.9150000 46.1870000 L H-H1-0.053266 -1 62.9730000 36.5200000 45.3060000 L C-CT-0.036707 -1 64.9810000 36.5510000 46.0950000 L H-HC-0.028012 -1 65.5610000 37.1670000 46.7840000 L H-HC-0.028012 -1 65.1160000 35.5090000 46.3890000 L C-CT-0.012454 -1 65.5200000 36.7140000 44.6660000 L H-HC-0.002964 -1 64.8110000 36.2730000 43.9640000 L H-HC-0.002964 -1 65.6340000 37.7730000 44.4380000 L C-CT-0.126329 -1 66.8690000 36.0190000 44.4820000 L H-H1-0.068148 -1 67.6130000 36.4950000 45.1230000 L H-H1-0.068148 -1 66.7630000 34.9720000 44.7700000 L N-N2--0.464890 -1 67.2940000 36.0980000 43.0780000 L H-H-0.326274 -1 66.8000000 36.7610000 42.4840000 L C-CA-0.565543 -1 68.2130000 35.3630000 42.4720000 L N-N2--0.685774 -1 68.9470000 34.4820000 43.1100000 L H-H-0.391052 -1 68.8400000 34.3520000 44.1100000 L H-H-0.391052 -1 69.6330000 33.9490000 42.5880000 L N-N2--0.685774 -1 68.3990000 35.5040000 41.1810000 L H-H-0.391052 -1 67.8230000 36.1650000 40.6630000 L H-H-0.391052 -1 69.0760000 34.9330000 40.6980000 L C-C-0.730308 -1 62.8490000 36.2290000 47.4080000 L O-O--0.578332 -1 62.5420000 36.8650000 48.4240000 L N-N--0.355153 -1 62.6670000 34.9110000 47.3150000 L H-H-0.262417 -1 62.9770000 34.4550000 46.4600000 L C-CT--0.101497 -1 62.3150000 34.0500000 48.4460000 L H-H1-0.136951 -1 61.5040000 34.5120000 49.0090000 L C-CT--0.144399 -1 61.8470000 32.6790000 47.9190000 L H-HC-0.052533 -1 62.6740000 32.2210000 47.3710000 L H-HC-0.052533 -1 61.6210000 32.0350000 48.7700000 L C-CT-0.191982 -1 60.6090000 32.7260000 46.9930000 L H-HC-0.000825 -1 60.8290000 33.3540000 46.1290000 L C-CT--0.123036 -1 60.3000000 31.3160000 46.4770000 L H-HC-0.022376 -1 60.0870000 30.6490000 47.3120000 L H-HC-0.022376 -1 59.4380000 31.3440000 45.8090000 L H-HC-0.022376 -1 61.1570000 30.9370000 45.9190000 L C-CT--0.123036 -1 59.3660000 33.2920000 47.7000000 L H-HC-0.022376 -1 59.5340000 34.3300000 47.9840000 L H-HC-0.022376 -1 58.5110000 33.2580000 47.0240000 L H-HC-0.022376 -1 59.1390000 32.7030000 48.5880000 L C-C-0.573471 -1 63.5140000 33.9130000 49.3990000 L O-O--0.557847 -1 64.6740000 33.9420000 48.9830000 L N-N--0.541430 -1 63.2220000 33.7430000 50.6840000 L H-H-0.345415 -1 62.2450000 33.6990000 50.9510000 L C-CT-0.118140 -1 64.2000000 33.7060000 51.7780000 L H-H1-0.142177 -1 65.2130000 33.7220000 51.3710000 L C-CT-0.146998 -1 64.0240000 34.9620000 52.6470000 L H-H1-0.040081 -1 64.8830000 35.0530000 53.3110000 L H-H1-0.040081 -1 64.0060000 35.8380000 52.0000000 L O-OH--0.640312 -1 62.8380000 34.9200000 53.4340000 L H-HO-0.446255 -1 62.0600000 34.8540000 52.8340000 L C-C-0.483424 -1 64.0680000 32.4270000 52.6220000 L O-O--0.580829 -1 63.1820000 31.6070000 52.3780000 L N-N--0.387353 -1 64.9430000 32.2460000 53.6160000 L H-H-0.300605 -1 65.6700000 32.9420000 53.7390000 L C-CT-0.037470 -1 65.0450000 31.0210000 54.4140000 L H-H1-0.152255 -1 65.4210000 30.2320000 53.7600000 L C-CT--0.032112 -1 66.0730000 31.2430000 55.5350000 L H-HC-0.030995 -1 66.9980000 31.6240000 55.1000000 L H-HC-0.030995 -1 65.6930000 31.9820000 56.2430000 L C-CT--0.020264 -1 66.3880000 29.9350000 56.2760000 L H-HC-0.030791 -1 65.5020000 29.5800000 56.8040000 L H-HC-0.030791 -1 66.6680000 29.1840000 55.5410000 L C-C-0.667812 -1 67.5170000 30.0900000 57.2930000 L O-O--0.628483 -1 67.6410000 31.0900000 57.9860000 L N-N--0.883393 -1 68.3700000 29.1070000 57.4640000 L H-H-0.408312 -1 69.1250000 29.2330000 58.1130000 L H-H-0.408312 -1 68.3310000 28.3020000 56.8450000 L C-C-0.418577 -1 63.7030000 30.5190000 54.9700000 L O-O--0.565310 -1 63.3980000 29.3430000 54.7860000 L N-N--0.558201 -1 62.8960000 31.3810000 55.6010000 L H-H-0.319676 -1 63.2190000 32.3350000 55.7250000 L C-CT-0.007225 -1 61.5770000 31.0280000 56.1630000 L H-H1-0.082375 -1 61.6740000 30.0820000 56.6950000 L C-CT--0.047555 -1 61.1900000 32.1080000 57.1880000 L H-HC--0.014836 -1 61.9990000 32.2130000 57.9120000 L H-HC--0.014836 -1 61.0850000 33.0580000 56.6710000 L C-C-0.745168 -1 59.9020000 31.7940000 57.9570000 L O-O2--0.730385 -1 58.8900000 32.5210000 57.8020000 L O-O2--0.730385 -1 59.9020000 30.8230000 58.7500000 L C-C-0.443199 -1 60.4680000 30.8530000 55.0990000 L O-O--0.501445 -1 59.4120000 30.2820000 55.3840000 L N-N--0.558201 -1 60.7010000 31.3230000 53.8690000 L H-H-0.319676 -1 61.6300000 31.6890000 53.6880000 L C-CT-0.007225 -1 59.7810000 31.1740000 52.7310000 L H-H1-0.082375 -1 58.7510000 31.2100000 53.0890000 L C-CT--0.047555 -1 59.9820000 32.3130000 51.7100000 L H-HC--0.014836 -1 60.9250000 32.1690000 51.1840000 L H-HC--0.014836 -1 59.1830000 32.2540000 50.9700000 L C-C-0.745168 -1 59.9690000 33.7130000 52.3230000 L O-O2--0.730385 -1 59.1840000 33.9430000 53.2660000 L O-O2--0.730385 -1 60.7550000 34.5800000 51.8580000 L C-C-0.443199 -1 60.0130000 29.8260000 52.0380000 L O-O--0.501445 -1 59.0680000 29.0790000 51.7750000 L N-N--0.451047 -1 61.2880000 29.4890000 51.8100000 L H-H-0.328831 -1 62.0000000 30.1720000 52.0700000 L C-CT--0.101874 -1 61.7180000 28.1680000 51.3380000 L H-H1-0.174193 -1 61.1720000 27.9220000 50.4300000 L C-CT-0.062238 -1 63.2290000 28.1650000 51.0070000 L H-HC-0.061662 -1 63.7770000 28.4340000 51.9110000 L C-CT--0.129989 -1 63.6720000 26.7500000 50.5920000 L H-HC-0.030227 -1 63.6440000 26.0830000 51.4530000 L H-HC-0.030227 -1 63.0190000 26.3540000 49.8130000 L H-HC-0.030227 -1 64.6930000 26.7710000 50.2180000 L C-CT-0.022230 -1 63.6300000 29.1940000 49.9220000 L H-HC-0.011551 -1 63.3930000 30.1980000 50.2690000 L H-HC-0.011551 -1 64.7110000 29.1530000 49.7870000 L C-CT--0.101251 -1 62.9690000 29.0060000 48.5530000 L H-HC-0.023792 -1 61.8880000 29.1110000 48.6370000 L H-HC-0.023792 -1 63.3410000 29.7690000 47.8690000 L H-HC-0.023792 -1 63.2140000 28.0260000 48.1430000 L C-C-0.569383 -1 61.3470000 27.1000000 52.3700000 L O-O--0.619535 -1 60.6960000 26.1150000 52.0280000 L N-N--0.435875 -1 61.6600000 27.3190000 53.6510000 L H-H-0.251302 -1 62.1560000 28.1720000 53.8910000 L C-CT--0.038773 -1 61.2520000 26.4240000 54.7400000 L H-H1-0.129478 -1 61.6660000 25.4370000 54.5440000 L C-CT--0.108273 -1 61.8400000 26.9580000 56.0570000 L H-HC-0.045214 -1 62.8900000 27.1930000 55.8890000 L H-HC-0.045214 -1 61.3180000 27.8750000 56.3340000 L C-CT-0.033341 -1 61.7990000 25.9730000 57.2320000 L H-HC-0.010208 -1 60.7680000 25.7010000 57.4460000 L H-HC-0.010208 -1 62.3600000 25.0750000 56.9720000 L C-CT--0.047841 -1 62.4360000 26.6380000 58.4630000 L H-HC-0.070715 -1 63.4160000 27.0310000 58.1860000 L H-HC-0.070715 -1 61.8050000 27.4700000 58.7780000 L C-CT--0.069974 -1 62.6110000 25.6620000 59.6320000 L H-HP-0.119522 -1 61.6260000 25.3020000 59.9450000 L H-HP-0.119522 -1 63.1970000 24.8040000 59.2900000 L N-N3--0.250358 -1 63.3020000 26.3150000 60.7720000 L H-H-0.294561 -1 63.4990000 25.6600000 61.5230000 L H-H-0.294561 -1 64.1750000 26.7520000 60.4820000 L H-H-0.294561 -1 62.7260000 27.0520000 61.1610000 L C-C-0.725129 -1 59.7270000 26.2520000 54.7860000 L O-O--0.563157 -1 59.2480000 25.1300000 54.9680000 L N-N--0.374282 -1 58.9660000 27.3180000 54.5060000 L H-H-0.253981 -1 59.4310000 28.2070000 54.3650000 L C-CT--0.128844 -1 57.5080000 27.2770000 54.4210000 L H-HC-0.088859 -1 57.1210000 26.8450000 55.3410000 L H-HC-0.088859 -1 57.1200000 28.2880000 54.2920000 L C-C-0.580584 -1 57.0020000 26.4080000 53.2730000 L O-O--0.509157 -1 56.2110000 25.4960000 53.5150000 L N-N--0.451047 -1 57.4520000 26.6410000 52.0360000 L H-H-0.328831 -1 58.1170000 27.4030000 51.8990000 L C-CT--0.101874 -1 56.9880000 25.8590000 50.8690000 L H-H1-0.174193 -1 55.9090000 25.7560000 50.9600000 L C-CT-0.062238 -1 57.2740000 26.6210000 49.5530000 L H-HC-0.061662 -1 57.0230000 27.6690000 49.7240000 L C-CT--0.129989 -1 58.7560000 26.5670000 49.1560000 L H-HC-0.030227 -1 59.0430000 25.5580000 48.8590000 L H-HC-0.030227 -1 58.9390000 27.2470000 48.3250000 L H-HC-0.030227 -1 59.3650000 26.8840000 49.9940000 L C-CT-0.022230 -1 56.4250000 26.1390000 48.3570000 L H-HC-0.011551 -1 56.7480000 26.6780000 47.4650000 L H-HC-0.011551 -1 56.5950000 25.0760000 48.1870000 L C-CT--0.101251 -1 54.9210000 26.3910000 48.5220000 L H-HC-0.023792 -1 54.7420000 27.4380000 48.7710000 L H-HC-0.023792 -1 54.4160000 26.1630000 47.5840000 L H-HC-0.023792 -1 54.5080000 25.7520000 49.3020000 L C-C-0.569383 -1 57.5000000 24.4120000 50.8750000 L O-O--0.619535 -1 56.7660000 23.5110000 50.4650000 L N-N--0.387353 -1 58.6880000 24.1620000 51.4340000 L H-H-0.300605 -1 59.2680000 24.9500000 51.7150000 L C-CT-0.037470 -1 59.2170000 22.8130000 51.6450000 L H-H1-0.152255 -1 59.1660000 22.2770000 50.6940000 L C-CT--0.032112 -1 60.6980000 22.8730000 52.0820000 L H-HC-0.030995 -1 60.8140000 23.5830000 52.9020000 L H-HC-0.030995 -1 60.9990000 21.8880000 52.4440000 L C-CT--0.020264 -1 61.6330000 23.2490000 50.9150000 L H-HC-0.030791 -1 61.4690000 22.5310000 50.1120000 L H-HC-0.030791 -1 61.3850000 24.2330000 50.5220000 L C-C-0.667812 -1 63.1250000 23.2250000 51.2730000 L O-O--0.628483 -1 63.5610000 23.4620000 52.3950000 L N-N--0.883393 -1 63.9780000 22.9080000 50.3260000 L H-H-0.408312 -1 64.9500000 22.7760000 50.5600000 L H-H-0.408312 -1 63.6610000 22.8000000 49.3680000 L C-C-0.418577 -1 58.3780000 21.9730000 52.6270000 L O-O--0.565310 -1 58.5150000 20.7510000 52.6140000 L N-N--0.423392 -1 57.4820000 22.5520000 53.4440000 L H-H-0.306811 -1 57.4060000 23.5630000 53.4630000 L C-CT-0.031633 -1 56.4910000 21.7630000 54.2020000 L H-H1-0.065100 -1 57.0130000 20.9840000 54.7610000 L C-CT-0.074772 -1 55.7070000 22.6260000 55.2070000 L H-HC--0.003535 -1 55.2300000 23.4550000 54.6870000 L H-HC--0.003535 -1 54.9120000 22.0090000 55.6240000 L C-CT--0.033909 -1 56.5390000 23.1580000 56.3780000 L H-HC--0.004135 -1 57.0880000 22.3330000 56.8330000 L H-HC--0.004135 -1 57.2510000 23.8960000 56.0120000 L C-C-0.765188 -1 55.6380000 23.7950000 57.4350000 L O-O2--0.824035 -1 55.5970000 25.0450000 57.5370000 L O-O2--0.824035 -1 54.9250000 23.0470000 58.1450000 L C-C-0.469735 -1 55.4600000 21.0660000 53.2950000 L O-O--0.592528 -1 54.8350000 20.0850000 53.7150000 L N-N--0.355153 -1 55.2520000 21.5610000 52.0680000 L H-H-0.262417 -1 55.8440000 22.3200000 51.7460000 L C-CT--0.101497 -1 54.1080000 21.1980000 51.2280000 L H-H1-0.136951 -1 53.4470000 20.5310000 51.7770000 L C-CT--0.144399 -1 53.3080000 22.4690000 50.8680000 L H-HC-0.052533 -1 53.9160000 23.0720000 50.1930000 L H-HC-0.052533 -1 52.4170000 22.1550000 50.3210000 L C-CT-0.191982 -1 52.8700000 23.3850000 52.0320000 L H-HC-0.000825 -1 53.7590000 23.8160000 52.4960000 L C-CT--0.123036 -1 52.0240000 24.5350000 51.4690000 L H-HC-0.022376 -1 51.1310000 24.1390000 50.9820000 L H-HC-0.022376 -1 51.7200000 25.1960000 52.2790000 L H-HC-0.022376 -1 52.6030000 25.1070000 50.7450000 L C-CT--0.123036 -1 52.0660000 22.6550000 53.1180000 L H-HC-0.022376 -1 51.7860000 23.3600000 53.9020000 L H-HC-0.022376 -1 51.1620000 22.2240000 52.6930000 L H-HC-0.022376 -1 52.6680000 21.8690000 53.5670000 L C-C-0.573471 -1 54.5430000 20.4450000 49.9670000 L O-O--0.557847 -1 53.9950000 19.3740000 49.6860000 L N-N--0.487560 -1 55.5600000 20.9370000 49.2500000 L H-H-0.263521 -1 56.0140000 21.7860000 49.5760000 L C-CT-0.009614 -1 55.9670000 20.4080000 47.9370000 L H-H1-0.095501 -1 55.5990000 19.3870000 47.8350000 L C-CT--0.051853 -1 55.3230000 21.2370000 46.8130000 L H-HC-0.019145 -1 55.9240000 22.1340000 46.6510000 L H-HC-0.019145 -1 55.3740000 20.6380000 45.9080000 L C-CA-0.112601 -1 53.8770000 21.6550000 47.0160000 L C-CA--0.183461 -1 52.8260000 20.7420000 46.8030000 L H-HA-0.132715 -1 53.0430000 19.7360000 46.4720000 L C-CA--0.181823 -1 51.4920000 21.1310000 47.0350000 L H-HA-0.137303 -1 50.6860000 20.4290000 46.8800000 L C-C-0.206277 -1 51.2030000 22.4410000 47.4830000 L O-OH--0.421233 -1 49.9200000 22.8130000 47.7450000 L H-HO-0.329691 -1 49.8810000 23.7160000 48.1060000 L C-CA--0.181823 -1 52.2590000 23.3610000 47.6710000 L H-HA-0.137303 -1 52.0490000 24.3630000 48.0130000 L C-CA--0.183461 -1 53.5880000 22.9670000 47.4340000 L H-HA-0.132715 -1 54.3920000 23.6670000 47.6030000 L C-C-0.622290 -1 57.4940000 20.3610000 47.7320000 L O-O--0.526607 -1 58.2500000 21.0830000 48.3870000 L N-N--0.374282 -1 57.9390000 19.5390000 46.7730000 L H-H-0.253981 -1 57.2490000 18.9910000 46.2710000 L C-CT--0.128844 -1 59.3430000 19.3810000 46.3690000 L H-HC-0.088859 -1 59.9970000 19.4910000 47.2360000 L H-HC-0.088859 -1 59.4800000 18.3890000 45.9450000 L C-C-0.580584 -1 59.8020000 20.3830000 45.3060000 L O-O--0.509157 -1 59.0230000 21.2070000 44.8310000 L N-N--0.404773 -1 61.0830000 20.3140000 44.9440000 L H-H-0.294276 -1 61.6590000 19.5920000 45.3670000 L C-CT--0.027733 -1 61.7500000 21.2650000 44.0510000 L H-H1-0.120802 -1 61.5400000 22.2780000 44.4010000 L C-CT--0.229951 -1 63.2600000 21.0120000 44.1740000 L H-HC-0.077428 -1 63.5040000 20.0040000 43.8370000 L H-HC-0.077428 -1 63.8100000 21.7270000 43.5640000 L H-HC-0.077428 -1 63.5760000 21.1290000 45.2110000 L C-C-0.570224 -1 61.3010000 21.2000000 42.5750000 L O-O--0.555129 -1 61.4230000 22.1970000 41.8590000 L N-N--0.541430 -1 60.8160000 20.0530000 42.0950000 L H-H-0.345415 -1 60.8100000 19.2450000 42.7120000 L C-CT-0.118140 -1 60.5420000 19.8110000 40.6670000 L H-H1-0.142177 -1 60.1840000 20.7420000 40.2280000 L C-CT-0.146998 -1 61.8710000 19.4460000 39.9660000 L H-H1-0.040081 -1 61.6890000 19.1960000 38.9220000 L H-H1-0.040081 -1 62.5130000 20.3280000 39.9870000 L O-OH--0.640312 -1 62.5730000 18.3690000 40.5810000 L H-HO-0.446255 -1 62.1970000 17.5290000 40.2100000 L C-C-0.483424 -1 59.4510000 18.7360000 40.4140000 L O-O--0.580829 -1 59.1590000 17.9320000 41.3110000 L N-N--0.280200 -1 58.8170000 18.7150000 39.2180000 L C-CT-0.043400 -1 58.9760000 19.7060000 38.1530000 L H-H1-0.033100 -1 60.0030000 19.7570000 37.7940000 L H-H1-0.033100 -1 58.6580000 20.6840000 38.5150000 L C-CT-0.046600 -1 58.0610000 19.2720000 37.0100000 L H-HC-0.017200 -1 58.6000000 18.6030000 36.3370000 L H-HC-0.017200 -1 57.6620000 20.1280000 36.4640000 L C-CT--0.054300 -1 56.9650000 18.5000000 37.7370000 L H-HC-0.038100 -1 56.4520000 17.8060000 37.0700000 L H-HC-0.038100 -1 56.2520000 19.2020000 38.1710000 L C-CT--0.133600 -1 57.7320000 17.7860000 38.8560000 L H-H1-0.077600 -1 57.0660000 17.6380000 39.7030000 L C-C-0.663100 -1 58.1850000 16.3900000 38.3960000 L O-O2--0.769700 -1 57.3080000 15.5030000 38.2980000 L O-O2--0.769700 -1 59.3770000 16.1670000 38.0910000 L Zn-Zn-1.620000 0 48.1610000 36.8310000 54.1920000 L Zn-Zn-1.620000 -1 36.7110000 38.6530000 48.3590000 L Ca-C0-1.620000 -1 41.9100000 48.8770000 52.3920000 L Ca-C0-1.620000 -1 38.5560000 28.6540000 42.4830000 L C-CT--0.098450 0 45.4620000 39.2040000 53.9680000 L H-H1-0.092900 0 45.4440000 38.7940000 52.9600000 L H-H1-0.092900 0 44.7380000 38.7890000 54.6660000 L S-S--0.196280 0 47.1710000 39.1030000 54.7070000 L C-CT--0.054330 0 46.0410000 40.4820000 54.1990000 L H-H1-0.133730 0 45.7230000 41.0380000 55.0790000 L C-CT--0.076300 0 46.6390000 41.2730000 53.0530000 L H-H1-0.081920 0 47.2990000 40.6400000 52.4530000 L H-H1-0.081920 0 45.8460000 41.6430000 52.4040000 L S-S-0.954220 0 47.5510000 42.6940000 53.5920000 L O-O--0.575180 0 47.9060000 42.5390000 54.9790000 L O-O--0.575180 0 46.7980000 43.8560000 53.2100000 L C-CA--0.012360 0 49.0700000 42.6620000 52.6820000 L C-CA--0.115240 0 49.4670000 43.7970000 51.9750000 L C-CA--0.236730 0 50.6630000 43.7970000 51.2610000 L H-HA-0.160330 0 50.9710000 44.6770000 50.7050000 L H-HA-0.168040 0 48.8420000 44.6860000 51.9930000 L C-CA--0.115240 0 49.8940000 41.5320000 52.7000000 L H-HA-0.168040 0 49.6040000 40.6470000 53.2650000 L C-CA--0.236730 0 51.0920000 41.5380000 51.9850000 L H-HA-0.160330 0 51.7320000 40.6610000 51.9880000 L C-CA-0.301730 0 51.4740000 42.6680000 51.2630000 L O-OS--0.306330 0 52.6370000 42.6930000 50.5300000 L C-CA-0.173990 0 53.8190000 42.1370000 50.9670000 L C-CA--0.123640 0 54.1870000 42.1800000 52.3110000 L H-HA-0.150250 0 53.5290000 42.6360000 53.0450000 L C-CA--0.187840 0 55.4160000 41.6610000 52.7110000 L H-HA-0.155440 0 55.7120000 41.7130000 53.7540000 L C-CA--0.094220 0 56.2810000 41.1010000 51.7740000 L H-HA-0.134130 0 57.2470000 40.7090000 52.0900000 L C-CA--0.187840 0 55.9110000 41.0550000 50.4310000 L H-HA-0.155440 0 56.5880000 40.6260000 49.6950000 L C-CA--0.123640 0 54.6790000 41.5720000 50.0320000 L H-HA-0.150250 0 54.3870000 41.5460000 48.9870000 L O-OW--0.834000 -1 44.1780000 42.6670000 62.5290000 L H-HW-0.417000 -1 43.5420000 42.6360000 63.2850000 L H-HW-0.417000 -1 43.8620000 41.8660000 62.0380000 L O-OW--0.834000 -1 60.2050000 39.6110000 51.5730000 L H-HW-0.417000 -1 60.6050000 38.7560000 51.3070000 L H-HW-0.417000 -1 60.0050000 39.4400000 52.5080000 L O-OW--0.834000 0 46.4990000 36.0870000 54.8760000 L H-HW-0.417000 0 45.7110000 35.7440000 54.3620000 L H-HW-0.417000 0 46.3070000 35.6060000 55.7270000 L O-OW--0.834000 -1 46.1010000 35.8600000 65.4300000 L H-HW-0.417000 -1 45.7040000 34.9660000 65.3540000 L H-HW-0.417000 -1 46.9950000 35.6030000 65.7700000 L O-OW--0.834000 0 57.5210000 40.4770000 55.1120000 L H-HW-0.417000 0 56.5560000 40.3150000 55.2060000 L H-HW-0.417000 0 57.8460000 39.5510000 55.1780000 L O-OW--0.834000 -1 58.5600000 42.9050000 55.5260000 L H-HW-0.417000 -1 58.2470000 41.9930000 55.2860000 L H-HW-0.417000 -1 57.7720000 43.4140000 55.2050000 L O-OW--0.834000 -1 39.9790000 38.5360000 60.4120000 L H-HW-0.417000 -1 40.3910000 39.4280000 60.5240000 L H-HW-0.417000 -1 39.8570000 38.3080000 61.3670000 L O-OW--0.834000 -1 43.2520000 40.4320000 61.3340000 L H-HW-0.417000 -1 43.1010000 39.6970000 61.9750000 L H-HW-0.417000 -1 42.3150000 40.6490000 61.1160000 L O-OW--0.834000 -1 49.4420000 44.1340000 56.6650000 L H-HW-0.417000 -1 50.2410000 43.7330000 56.2500000 L H-HW-0.417000 -1 48.7460000 43.6090000 56.2100000 L O-OW--0.834000 0 45.2570000 36.8380000 62.9970000 L H-HW-0.417000 0 44.6620000 36.0540000 62.8630000 L H-HW-0.417000 0 45.5670000 36.6180000 63.9130000 L O-OW--0.834000 -1 49.9180000 46.8560000 56.5910000 L H-HW-0.417000 -1 49.7600000 45.8850000 56.6480000 L H-HW-0.417000 -1 49.0390000 47.1610000 56.3130000 L O-OW--0.834000 -1 65.4910000 42.3760000 53.6110000 L H-HW-0.417000 -1 65.9790000 43.2000000 53.8550000 L H-HW-0.417000 -1 64.6150000 42.7710000 53.3980000 L O-OW--0.834000 -1 60.4510000 43.8900000 49.7160000 L H-HW-0.417000 -1 60.9830000 44.2260000 48.9550000 L H-HW-0.417000 -1 59.7110000 44.5330000 49.6960000 L O-OW--0.834000 -1 62.7070000 40.3280000 53.0870000 L H-HW-0.417000 -1 62.3880000 41.0060000 52.4470000 L H-HW-0.417000 -1 61.8610000 40.1120000 53.5350000 L O-OW--0.834000 -1 46.1590000 45.8080000 61.0650000 L H-HW-0.417000 -1 46.3930000 44.8490000 61.1220000 L H-HW-0.417000 -1 46.3890000 45.9910000 60.1410000 L O-OW--0.834000 -1 35.6410000 38.5240000 60.0550000 L H-HW-0.417000 -1 36.3340000 38.9330000 59.4960000 L H-HW-0.417000 -1 34.9410000 39.2160000 59.9900000 L O-OW--0.834000 -1 61.5830000 42.0580000 51.2880000 L H-HW-0.417000 -1 61.1190000 42.7320000 50.7200000 L H-HW-0.417000 -1 60.9360000 41.3190000 51.1950000 L O-OW--0.834000 0 45.8150000 34.6140000 57.0320000 L H-HW-0.417000 0 46.4840000 33.9000000 57.2290000 L H-HW-0.417000 0 45.0870000 34.0230000 56.7080000 L O-OW--0.834000 0 44.3510000 34.9700000 53.7300000 L H-HW-0.417000 0 44.1360000 34.6980000 52.8040000 L H-HW-0.417000 0 43.6540000 35.6640000 53.8500000 L O-OW--0.834000 0 47.8220000 40.8810000 60.8030000 L H-HW-0.417000 0 48.2110000 40.0950000 61.2230000 L H-HW-0.417000 0 48.6320000 41.4380000 60.6960000 L O-OW--0.834000 -1 60.9130000 44.1940000 55.0370000 L H-HW-0.417000 -1 60.1100000 43.6370000 55.2200000 L H-HW-0.417000 -1 60.4540000 45.0310000 54.7950000 L O-OW--0.834000 -1 52.2550000 46.5740000 59.7780000 L H-HW-0.417000 -1 51.6540000 45.8070000 59.5900000 L H-HW-0.417000 -1 52.1240000 47.0840000 58.9500000 L O-OW--0.834000 0 50.2430000 34.7090000 64.3760000 L H-HW-0.417000 0 49.9920000 33.9240000 63.8410000 L H-HW-0.417000 0 49.5140000 34.6950000 65.0400000 L O-OW--0.834000 -1 53.4270000 49.6980000 59.6720000 L H-HW-0.417000 -1 53.9330000 48.9000000 59.9710000 L H-HW-0.417000 -1 52.9400000 49.3060000 58.9180000 L O-OW--0.834000 -1 40.6170000 43.6580000 60.1670000 L H-HW-0.417000 -1 40.5160000 44.3790000 59.5090000 L H-HW-0.417000 -1 40.7160000 44.1790000 60.9900000 L O-OW--0.834000 0 42.6610000 36.9680000 54.4110000 L H-HW-0.417000 0 42.8480000 36.9800000 55.3680000 L H-HW-0.417000 0 41.8810000 37.5660000 54.3690000 L O-OW--0.834000 -1 50.5530000 51.4470000 54.3490000 L H-HW-0.417000 -1 50.6260000 51.1370000 55.2830000 L H-HW-0.417000 -1 50.1920000 52.3440000 54.5000000 L O-OW--0.834000 -1 61.4770000 37.1610000 50.9860000 L H-HW-0.417000 -1 61.7530000 37.0320000 50.0530000 L H-HW-0.417000 -1 61.1550000 36.2610000 51.2020000 L O-OW--0.834000 -1 39.5330000 36.4430000 58.8070000 L H-HW-0.417000 -1 39.7650000 37.1660000 59.4430000 L H-HW-0.417000 -1 40.4230000 36.0260000 58.7170000 L O-OW--0.834000 -1 61.9680000 44.8430000 47.6720000 L H-HW-0.417000 -1 62.7970000 45.3700000 47.7640000 L H-HW-0.417000 -1 62.2700000 44.2110000 46.9770000 L O-OW--0.834000 -1 39.9730000 44.4420000 54.4080000 L H-HW-0.417000 -1 40.4080000 45.0310000 55.0570000 L H-HW-0.417000 -1 39.3820000 43.9240000 54.9770000 L O-OW--0.834000 0 41.8160000 35.0410000 58.3700000 L H-HW-0.417000 0 42.3800000 35.4630000 57.6920000 L H-HW-0.417000 0 41.3130000 34.4030000 57.8150000 L O-OW--0.834000 -1 40.7900000 40.2910000 66.8060000 L H-HW-0.417000 -1 41.5140000 40.9550000 66.9100000 L H-HW-0.417000 -1 40.7920000 40.2180000 65.8200000 L O-OW--0.834000 -1 37.7840000 37.5520000 57.0760000 L H-HW-0.417000 -1 37.7220000 38.4020000 57.5530000 L H-HW-0.417000 -1 38.4840000 37.1080000 57.6190000 L O-OW--0.834000 -1 63.8940000 38.3880000 51.6980000 L H-HW-0.417000 -1 63.4940000 39.1290000 52.2180000 L H-HW-0.417000 -1 63.0700000 37.9000000 51.4670000 L O-OW--0.834000 0 44.1150000 33.0240000 55.6780000 L H-HW-0.417000 0 44.9350000 32.4800000 55.5410000 L H-HW-0.417000 0 44.1690000 33.5970000 54.8810000 L O-OW--0.834000 -1 36.3430000 35.2920000 57.7310000 L H-HW-0.417000 -1 36.5560000 34.6320000 57.0420000 L H-HW-0.417000 -1 36.7900000 36.0850000 57.3620000 L O-OW--0.834000 -1 63.4000000 42.9950000 63.8730000 L H-HW-0.417000 -1 62.4710000 42.8350000 63.5940000 L H-HW-0.417000 -1 63.3170000 42.7620000 64.8320000 L O-OW--0.834000 -1 64.9620000 43.5080000 58.6990000 L H-HW-0.417000 -1 65.0050000 42.5570000 58.9030000 L H-HW-0.417000 -1 64.1290000 43.5440000 58.1730000 L O-OW--0.834000 -1 54.7940000 47.5140000 60.4220000 L H-HW-0.417000 -1 54.0250000 46.9240000 60.2670000 L H-HW-0.417000 -1 55.1020000 47.1500000 61.2920000 L O-OW--0.834000 -1 43.7290000 45.3730000 62.2780000 L H-HW-0.417000 -1 44.5470000 45.6530000 61.8040000 L H-HW-0.417000 -1 43.9260000 44.4110000 62.3740000 L O-OW--0.834000 -1 62.9920000 43.6320000 53.1750000 L H-HW-0.417000 -1 62.4410000 43.1720000 52.5050000 L H-HW-0.417000 -1 62.3050000 43.8290000 53.8510000 L O-OW--0.834000 -1 49.1630000 44.3420000 66.4030000 L H-HW-0.417000 -1 49.3310000 45.1310000 65.8250000 L H-HW-0.417000 -1 49.7680000 44.5840000 67.1460000 L O-OW--0.834000 -1 40.0220000 48.1400000 59.2970000 L H-HW-0.417000 -1 40.6790000 48.8210000 59.0030000 L H-HW-0.417000 -1 39.4220000 48.6970000 59.8180000 L O-OW--0.834000 0 46.0220000 34.2120000 60.4900000 L H-HW-0.417000 0 45.1020000 33.9360000 60.2500000 L H-HW-0.417000 0 45.9700000 35.1640000 60.2410000 L O-OW--0.834000 -1 58.2730000 48.8450000 55.1030000 L H-HW-0.417000 -1 58.2280000 49.8230000 55.2060000 L H-HW-0.417000 -1 57.3650000 48.6600000 54.7930000 L O-OW--0.834000 -1 39.6340000 53.0370000 57.4680000 L H-HW-0.417000 -1 40.2100000 52.3070000 57.1410000 L H-HW-0.417000 -1 39.6570000 53.6150000 56.6620000 L O-OW--0.834000 -1 39.8370000 41.3110000 53.6490000 L H-HW-0.417000 -1 39.0880000 41.6790000 54.1800000 L H-HW-0.417000 -1 40.4160000 42.0960000 53.6200000 L O-OW--0.834000 0 47.9580000 32.5250000 59.7920000 L H-HW-0.417000 0 47.2140000 33.1040000 60.0990000 L H-HW-0.417000 0 47.7040000 32.4830000 58.8270000 L O-OW--0.834000 -1 56.2840000 41.4300000 68.1720000 L H-HW-0.417000 -1 56.0220000 41.8890000 69.0040000 L H-HW-0.417000 -1 56.5110000 42.2130000 67.6170000 L O-OW--0.834000 -1 53.0780000 38.6860000 67.3860000 L H-HW-0.417000 -1 52.6370000 39.2360000 68.0850000 L H-HW-0.417000 -1 53.2300000 37.8690000 67.9150000 L O-OW--0.834000 -1 69.1520000 41.4140000 45.3980000 L H-HW-0.417000 -1 69.4340000 42.2660000 45.8270000 L H-HW-0.417000 -1 69.0390000 40.8710000 46.2140000 L O-OW--0.834000 -1 41.0960000 44.8480000 62.6540000 L H-HW-0.417000 -1 42.0350000 45.1080000 62.5060000 L H-HW-0.417000 -1 40.7490000 45.6490000 63.0740000 L O-OW--0.834000 -1 51.5750000 41.2790000 64.2420000 L H-HW-0.417000 -1 52.2590000 41.9380000 64.5120000 L H-HW-0.417000 -1 51.8300000 41.1620000 63.2970000 L O-OW--0.834000 -1 68.1930000 47.3950000 49.9500000 L H-HW-0.417000 -1 69.1220000 47.2150000 50.2270000 L H-HW-0.417000 -1 67.8010000 47.6070000 50.8270000 L O-OW--0.834000 -1 64.6380000 40.2450000 54.9430000 L H-HW-0.417000 -1 63.8880000 40.1430000 54.3070000 L H-HW-0.417000 -1 65.0570000 41.0470000 54.5390000 L O-OW--0.834000 -1 40.1400000 45.6460000 58.3060000 L H-HW-0.417000 -1 40.1110000 46.5520000 58.7180000 L H-HW-0.417000 -1 40.5460000 45.9010000 57.4390000 L O-OW--0.834000 -1 50.9160000 50.7590000 56.9580000 L H-HW-0.417000 -1 50.2330000 50.8920000 57.6610000 L H-HW-0.417000 -1 51.2540000 49.8780000 57.2230000 L O-OW--0.834000 -1 37.8390000 41.0850000 61.4210000 L H-HW-0.417000 -1 37.5140000 40.3570000 61.9990000 L H-HW-0.417000 -1 37.2410000 41.8090000 61.7200000 L O-OW--0.834000 -1 40.0550000 35.2980000 47.5370000 L H-HW-0.417000 -1 40.6620000 34.6900000 47.0570000 L H-HW-0.417000 -1 40.6420000 36.0730000 47.6420000 L O-OW--0.834000 -1 53.8810000 48.3730000 55.3540000 L H-HW-0.417000 -1 54.5630000 47.9270000 54.8090000 L H-HW-0.417000 -1 54.4710000 49.0310000 55.8190000 L O-OW--0.834000 -1 63.5420000 47.1490000 55.4840000 L H-HW-0.417000 -1 63.5560000 46.2250000 55.7730000 L H-HW-0.417000 -1 62.9680000 47.5510000 56.1740000 L O-OW--0.834000 -1 57.4020000 41.2350000 60.5170000 L H-HW-0.417000 -1 57.5790000 41.6980000 59.6550000 L H-HW-0.417000 -1 57.8700000 40.3870000 60.3240000 L O-OW--0.834000 -1 40.6010000 41.1070000 60.9050000 L H-HW-0.417000 -1 39.6740000 41.1920000 61.2360000 L H-HW-0.417000 -1 40.7000000 42.0310000 60.5400000 L O-OW--0.834000 -1 49.6190000 41.4180000 69.3350000 L H-HW-0.417000 -1 49.1370000 40.7380000 68.8020000 L H-HW-0.417000 -1 50.5230000 41.0310000 69.2930000 L O-OW--0.834000 -1 59.3150000 47.9050000 60.8460000 L H-HW-0.417000 -1 58.5620000 48.0540000 60.2180000 L 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