0 mol 4 unq 0 iso 0 dist 8.67981 7.97369 6.66589 14.676 6.21697 9.80478 11.5212 6.12485 6.56189 6.86951 numMergedOcc 0
1 mol 87 unq 0 iso 0 dist 6.97882 11.2491 9.1329 9.4868 5.38943 5.26938 15.7737 14.3873 5.30415 9.90256 numMergedOcc 0
2 mol 87 unq 1 iso 0 dist 6.97882 11.2491 9.1329 9.4868 5.38943 5.26938 6.27329 5.62336 5.507 5.63748 numMergedOcc 0
3 mol 87 unq 2 iso 0 dist 6.97882 11.2491 9.1329 15.7638 11.9011 6.8014 15.7737 14.3873 5.30415 7.57471 numMergedOcc 0
4 mol 87 unq 3 iso 0 dist 6.97882 12.8734 9.03114 9.4868 5.38943 8.91602 15.7737 14.3873 11.2095 9.90256 numMergedOcc 0
5 mol 87 unq 4 iso 0 dist 6.97882 12.8734 9.03114 9.4868 5.38943 8.91602 6.27329 5.62336 7.26523 5.63748 numMergedOcc 0
6 mol 87 unq 5 iso 0 dist 9.4868 11.2491 5.26938 6.97882 5.38943 9.1329 6.27329 5.63748 5.507 5.62336 numMergedOcc 0
7 mol 87 unq 6 iso 0 dist 9.4868 11.2491 5.26938 15.7638 6.69898 6.8014 15.7737 9.90256 5.30415 7.57471 numMergedOcc 0
8 mol 87 unq 7 iso 0 dist 9.4868 12.8734 8.91602 6.97882 5.38943 9.03114 6.27329 5.63748 7.26523 5.62336 numMergedOcc 0
9 mol 87 unq 8 iso 0 dist 7.7858 11.2195 9.1329 10.847 5.38943 5.26938 15.8965 14.3873 5.30415 9.90256 numMergedOcc 0
10 mol 87 unq 9 iso 0 dist 7.7858 11.2195 9.1329 10.847 5.38943 5.26938 7.88443 5.62336 5.507 5.63748 numMergedOcc 0
11 mol 87 unq 10 iso 0 dist 7.7858 11.2195 9.1329 15.8836 11.9011 6.8014 15.8965 14.3873 5.30415 7.57471 numMergedOcc 0
12 mol 87 unq 11 iso 0 dist 7.7858 5.66355 9.03114 10.847 5.38943 8.91602 15.8965 14.3873 11.2095 9.90256 numMergedOcc 0
13 mol 87 unq 12 iso 0 dist 7.7858 5.66355 9.03114 10.847 5.38943 8.91602 7.88443 5.62336 7.26523 5.63748 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 8.58317 4.70935 7.73139 5.52891 6.87199 8.62711 6.87376 12.452 11.2447 5.83719 numMergedOcc 0
15 mol 132 unq 0 iso 0 dist 9.00166 4.90475 6.2403 7.16287 11.8902 6.495 4.21327 10.9107 5.28089 6.94745 numMergedOcc 0
16 mol 132 unq 1 iso 0 dist 9.00166 6.34266 8.34869 7.16287 11.8902 9.43748 4.21327 10.9107 4.50065 6.94745 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 9.60268 6.51864 8.8573 13.3612 6.11195 9.35182 9.78459 9.11481 5.06947 7.41092 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 8.79954 5.14137 8.8573 11.9617 6.11195 9.35182 9.70858 9.11481 5.06947 7.41092 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 8.55805 15.5892 7.30244 10.9802 6.99846 9.58343 4.74145 6.39087 12.2765 9.86144 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.17911 17.1229 8.81059 14.4126 7.64421 7.9357 13.8539 7.25618 4.51422 8.70193 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 9.17911 15.539 9.12006 14.4126 7.64421 5.79537 13.8539 7.25618 4.99997 8.70193 numMergedOcc 0
22 mol 258 unq 2 iso 0 dist 9.52903 7.52881 8.81059 12.3615 7.64421 7.9357 9.6053 7.25618 4.51422 8.70193 numMergedOcc 0
23 mol 258 unq 3 iso 0 dist 9.52903 12.3042 9.12006 12.3615 7.64421 5.79537 9.6053 7.25618 4.99997 8.70193 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 6.70261 7.84864 9.6147 9.56601 6.22487 6.47376 12.0471 12.7328 4.51031 8.03486 numMergedOcc 0
25 mol 284 unq 0 iso 0 dist 8.77418 5.88217 7.32482 13.3357 9.79667 8.08993 8.12289 10.7421 4.76222 7.74965 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 7.47179 11.3154 7.13655 10.6184 5.69849 8.98486 6.53276 6.45597 5.37435 9.18785 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 7.47179 11.3154 7.13655 10.6184 5.69849 8.98486 6.53276 6.45597 5.37435 9.18785 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 7.47179 11.3154 7.13655 10.6184 5.69849 8.98486 6.53276 6.45597 5.37435 9.18785 numMergedOcc 0
