0 mol 14 unq 0 iso 0 dist 9.82883 8.60571 5.55214 7.12085 13.681 9.7022 10.9516 14.8819 9.58196 5.53425 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 9.82883 8.60571 5.55214 10.9516 14.8819 9.58196 7.12085 13.681 9.7022 5.53425 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 9.82883 8.60571 5.55214 7.12085 13.681 9.7022 11.3111 13.9071 9.04767 5.67201 numMergedOcc 0
3 mol 14 unq 1 iso 1 dist 9.82883 8.60571 5.55214 11.3111 13.9071 9.04767 7.12085 13.681 9.7022 5.67201 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 9.82883 8.60571 5.55214 10.9516 14.8819 9.58196 11.3111 13.9071 9.04767 4.53725 numMergedOcc 0
5 mol 14 unq 1 iso 1 dist 9.82883 8.60571 5.55214 11.3111 13.9071 9.04767 10.9516 14.8819 9.58196 4.53725 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 7.77128 9.70415 16.1373 5.46309 12.841 6.65721 11.9897 18.5951 6.72123 6.86346 numMergedOcc 0
7 mol 61 unq 0 iso 1 dist 7.77128 9.70415 16.1373 11.9897 18.5951 6.72123 5.46309 12.841 6.65721 6.86346 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.26536 8.05602 12.5137 12.0507 15.9063 5.08437 4.72129 9.4286 6.48948 9.51923 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 5.26536 8.05602 12.5137 4.72129 9.4286 6.48948 12.0507 15.9063 5.08437 9.51923 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.26536 8.05602 12.5137 12.0507 15.9063 5.08437 12.0339 17.163 6.10456 8.40073 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 5.26536 8.05602 12.5137 12.0339 17.163 6.10456 12.0507 15.9063 5.08437 8.40073 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.26536 8.05602 12.5137 4.72129 9.4286 6.48948 12.0339 17.163 6.10456 9.42358 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 5.26536 8.05602 12.5137 12.0339 17.163 6.10456 4.72129 9.4286 6.48948 9.42358 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 8.09751 5.70279 11.3776 5.92158 9.27725 7.47343 5.85449 13.9516 6.65086 8.8807 numMergedOcc 0
15 mol 100 unq 0 iso 1 dist 8.09751 5.70279 11.3776 5.85449 13.9516 6.65086 5.92158 9.27725 7.47343 8.8807 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 8.09751 5.70279 11.3776 5.92158 9.27725 7.47343 7.68675 13.081 6.56369 12.6515 numMergedOcc 0
17 mol 100 unq 1 iso 1 dist 8.09751 5.70279 11.3776 7.68675 13.081 6.56369 5.92158 9.27725 7.47343 12.6515 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 8.09751 5.70279 11.3776 5.92158 9.27725 7.47343 9.53223 17.0478 9.30209 13.887 numMergedOcc 0
19 mol 100 unq 2 iso 1 dist 8.09751 5.70279 11.3776 9.53223 17.0478 9.30209 5.92158 9.27725 7.47343 13.887 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 8.09751 5.70279 11.3776 5.85449 13.9516 6.65086 7.68675 13.081 6.56369 7.80879 numMergedOcc 0
21 mol 100 unq 1 iso 1 dist 8.09751 5.70279 11.3776 7.68675 13.081 6.56369 5.85449 13.9516 6.65086 7.80879 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 8.09751 5.70279 11.3776 5.85449 13.9516 6.65086 9.53223 17.0478 9.30209 5.38414 numMergedOcc 0
23 mol 100 unq 2 iso 1 dist 8.09751 5.70279 11.3776 9.53223 17.0478 9.30209 5.85449 13.9516 6.65086 5.38414 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 8.09751 5.70279 11.3776 7.68675 13.081 6.56369 9.53223 17.0478 9.30209 6.39938 numMergedOcc 0
25 mol 100 unq 2 iso 1 dist 8.09751 5.70279 11.3776 9.53223 17.0478 9.30209 7.68675 13.081 6.56369 6.39938 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 9.47253 8.97043 10.1455 11.8721 17.1394 9.33865 5.19652 9.54842 6.11741 8.02349 numMergedOcc 0
27 mol 115 unq 0 iso 1 dist 9.47253 8.97043 10.1455 5.19652 9.54842 6.11741 11.8721 17.1394 9.33865 8.02349 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 7.26325 6.23966 5.12351 5.16275 12.0652 9.61051 6.65856 6.42706 5.83384 9.05135 numMergedOcc 0
29 mol 129 unq 0 iso 1 dist 7.26325 6.23966 5.12351 6.65856 6.42706 5.83384 5.16275 12.0652 9.61051 9.05135 numMergedOcc 0
30 mol 142 unq 0 iso 0 dist 7.21779 7.15087 9.15453 8.68855 10.1001 9.2313 5.50176 9.78089 5.31024 5.32922 numMergedOcc 0
31 mol 142 unq 0 iso 1 dist 7.21779 7.15087 9.15453 5.50176 9.78089 5.31024 8.68855 10.1001 9.2313 5.32922 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 8.18749 9.73411 11.2298 14.1073 18.8009 8.95269 9.81806 14.526 6.57273 4.70378 numMergedOcc 0
33 mol 224 unq 0 iso 1 dist 8.18749 9.73411 11.2298 9.81806 14.526 6.57273 14.1073 18.8009 8.95269 4.70378 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 8.18749 9.73411 11.2298 14.1073 18.8009 8.95269 5.99647 10.0508 5.78342 11.5372 numMergedOcc 0
35 mol 224 unq 1 iso 1 dist 8.18749 9.73411 11.2298 5.99647 10.0508 5.78342 14.1073 18.8009 8.95269 11.5372 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 8.18749 9.73411 11.2298 9.81806 14.526 6.57273 5.99647 10.0508 5.78342 8.49799 numMergedOcc 0
37 mol 224 unq 1 iso 1 dist 8.18749 9.73411 11.2298 5.99647 10.0508 5.78342 9.81806 14.526 6.57273 8.49799 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 6.86281 5.00457 6.36273 5.65373 11.2048 7.03423 6.23084 8.68804 9.06952 6.84129 numMergedOcc 0
39 mol 229 unq 0 iso 1 dist 6.86281 5.00457 6.36273 6.23084 8.68804 9.06952 5.65373 11.2048 7.03423 6.84129 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 6.38295 8.80588 8.26589 8.30978 5.41639 6.53701 5.80223 7.96485 6.0664 5.51836 numMergedOcc 0
41 mol 280 unq 0 iso 1 dist 6.38295 8.80588 8.26589 5.80223 7.96485 6.0664 8.30978 5.41639 6.53701 5.51836 numMergedOcc 0
