0 mol 10 unq 0 iso 0 dist 9.39017 12.2644 6.18431 12.605 7.60549 6.77807 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.1113 7.42527 6.41656 9.84767 3.73148 5.72005 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 6.02472 3.66253 5.43693 7.44805 3.57198 5.4713 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 9.76351 14.463 9.77084 15.37 5.84075 9.04293 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 9.76351 13.9245 6.5551 15.37 5.84075 4.78333 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 9.76351 13.9245 6.5551 12.9584 5.41884 4.74254 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 9.52206 11.819 7.28831 13.4685 4.34681 6.67678 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 9.52206 11.819 7.28831 14.7229 5.73248 7.24956 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 9.52206 11.819 7.28831 18.8231 13.5809 8.28591 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 9.52206 11.819 7.28831 21.0079 14.149 9.40687 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 8.69945 4.85981 7.28831 8.24402 4.34681 6.67678 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 8.69945 4.85981 7.28831 10.1292 5.73248 7.24956 numMergedOcc 0
12 mol 93 unq 6 iso 0 dist 8.69945 4.85981 7.28831 7.14241 13.5809 8.28591 numMergedOcc 0
13 mol 93 unq 7 iso 0 dist 8.69945 4.85981 7.28831 10.5252 14.149 9.40687 numMergedOcc 0
14 mol 93 unq 8 iso 0 dist 8.77074 6.38065 9.71411 10.7142 9.11796 6.67678 numMergedOcc 0
15 mol 93 unq 9 iso 0 dist 8.77074 6.38065 9.71411 9.44156 7.24672 7.24956 numMergedOcc 0
16 mol 93 unq 10 iso 0 dist 8.77074 6.38065 9.71411 12.0633 10.6039 8.28591 numMergedOcc 0
17 mol 93 unq 11 iso 0 dist 8.77074 6.38065 9.71411 11.0168 6.48338 9.40687 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.75061 9.35007 7.75314 7.34765 4.94367 8.49847 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 5.82321 5.36315 6.0859 11.1776 5.68902 9.06172 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 5.82321 6.49048 6.05009 11.1776 5.68902 8.93091 numMergedOcc 0
21 mol 193 unq 0 iso 0 dist 9.16058 7.03555 8.15661 9.50113 5.96435 6.94187 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 9.60514 5.14649 8.63279 12.5708 5.93733 9.75417 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 9.37516 3.73699 8.31721 4.93303 10.4367 7.88986 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 9.37516 3.73699 8.31721 9.95859 5.27881 7.4185 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 5.82124 4.54444 5.31416 11.8306 6.28944 9.59928 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 5.82124 7.05353 5.44533 11.8306 6.28944 7.70062 numMergedOcc 0
27 mol 214 unq 2 iso 0 dist 5.82124 7.05353 5.44533 12.591 7.23583 7.66702 numMergedOcc 0
28 mol 214 unq 3 iso 0 dist 8.31236 5.33718 5.31416 12.2241 6.28944 9.59928 numMergedOcc 0
29 mol 214 unq 4 iso 0 dist 8.31236 5.12324 5.44533 12.2241 6.28944 7.70062 numMergedOcc 0
30 mol 214 unq 5 iso 0 dist 8.31236 5.12324 5.44533 12.6869 7.23583 7.66702 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 9.5144 16.7232 8.6233 12.1831 4.30125 9.21469 numMergedOcc 0
