0 mol 8 unq 0 iso 0 dist 6.92865 6.88402 8.99126 7.65219 5.95251 5.46588 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.17898 12.0005 7.03948 14.4707 12.558 9.47421 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.84393 6.31174 8.73972 8.33492 6.01189 5.36258 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.36645 4.16088 8.09058 9.65989 10.2391 9.10314 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.10915 12.9814 8.68586 17.7316 9.95527 8.64746 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.66921 11.75 8.68586 17.4016 9.95527 8.64746 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 5.54343 5.68492 8.68586 11.7816 9.95527 8.64746 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 9.99634 11.6323 9.54144 15.2206 6.41829 8.64746 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 6.87176 11.9261 7.96497 17.627 13.0823 8.18002 numMergedOcc 0
9 mol 68 unq 1 iso 0 dist 6.87176 11.9261 7.96497 12.0273 5.31976 9.01261 numMergedOcc 0
10 mol 68 unq 2 iso 0 dist 5.57389 7.01859 7.96497 14.6988 13.0823 8.18002 numMergedOcc 0
11 mol 68 unq 3 iso 0 dist 5.57389 7.01859 7.96497 9.85982 5.31976 9.01261 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 9.1329 16.0648 8.93296 19.5558 11.442 7.2668 numMergedOcc 0
13 mol 87 unq 1 iso 0 dist 5.26938 10.8096 8.93296 15.1492 11.442 7.2668 numMergedOcc 0
14 mol 87 unq 2 iso 0 dist 6.8014 4.56692 8.93296 10.3974 11.442 7.2668 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 9.25163 10.2577 9.10189 10.9463 6.06775 5.92974 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 6.85677 9.87733 9.80862 8.64438 5.81718 7.41608 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 6.85677 11.7378 8.43904 8.64438 5.81718 6.36583 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 7.28355 10.0058 7.16254 16.0154 10.0656 8.54318 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 9.14819 7.99023 9.59333 16.0046 14.7256 9.01377 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.9077 12.6281 6.99002 10.9225 6.19375 5.00266 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 4.79841 5.64308 7.06793 9.31156 6.87755 8.76325 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 4.79841 5.64308 7.06793 12.3798 11.0252 8.85101 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 6.095 5.17887 5.86443 9.70854 5.14019 6.20188 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 6.095 5.52229 7.22914 9.70854 5.14019 9.47836 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 9.97357 11.4732 7.17676 12.5445 5.27568 5.77356 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 9.97357 14.1057 6.68463 12.5445 5.27568 9.24309 numMergedOcc 0
27 mol 236 unq 2 iso 0 dist 6.36941 11.4732 5.34718 12.5445 7.77821 5.77356 numMergedOcc 0
28 mol 247 unq 0 iso 0 dist 7.29178 4.15871 6.6838 7.49895 5.61078 9.70618 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 9.67877 13.6436 6.49982 13.4359 4.6881 6.73928 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 7.72749 13.5492 9.02188 13.0654 6.01492 5.45375 numMergedOcc 0
31 mol 282 unq 0 iso 0 dist 8.58671 4.91806 6.85028 10.3884 10.9773 7.10557 numMergedOcc 0
32 mol 282 unq 1 iso 0 dist 9.51581 10.8603 7.32347 12.9697 11.2762 7.10557 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 6.86342 5.13259 7.52785 10.0128 4.59796 8.7448 numMergedOcc 0
