0 mol 88 unq 0 iso 0 dist 8.60797 8.71603 7.90857 5.43098 9.10091 4.47193 numMergedOcc 0
1 mol 88 unq 1 iso 0 dist 8.60797 8.71603 7.90857 9.40555 10.7807 12.8972 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 7.09826 7.37255 9.74415 5.52904 6.8994 4.79453 numMergedOcc 0
3 mol 116 unq 0 iso 0 dist 8.39198 6.12388 9.43959 9.70317 14.2669 4.91553 numMergedOcc 0
4 mol 116 unq 1 iso 0 dist 6.70803 6.12388 5.74705 9.70317 9.40781 4.91553 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 5.66981 9.03233 11.2978 5.24882 4.62104 10.9086 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 9.58058 5.47189 6.37463 8.94445 6.6281 6.92078 numMergedOcc 0
7 mol 211 unq 0 iso 0 dist 9.05403 7.66285 4.08758 7.78316 12.8384 9.1709 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 4.42722 4.71754 4.8193 7.39043 6.47265 3.57917 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 8.96332 5.07968 5.96799 9.54857 7.86323 4.86965 numMergedOcc 0
10 mol 220 unq 2 iso 0 dist 8.96332 5.07968 5.96799 8.73456 6.76635 3.7812 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 8.66699 9.30186 11.997 9.02494 15.0717 14.2198 numMergedOcc 0
12 mol 225 unq 1 iso 0 dist 8.66699 9.30186 11.997 8.83641 10.6012 17.4586 numMergedOcc 0
13 mol 225 unq 2 iso 0 dist 8.66699 6.51997 9.15542 9.02494 15.0717 9.76678 numMergedOcc 0
14 mol 225 unq 3 iso 0 dist 8.66699 6.51997 9.15542 8.83641 10.6012 5.41981 numMergedOcc 0
15 mol 225 unq 4 iso 0 dist 6.75968 9.30186 15.8841 9.02494 11.5114 14.2198 numMergedOcc 0
16 mol 225 unq 5 iso 0 dist 6.75968 9.30186 15.8841 8.83641 3.90246 17.4586 numMergedOcc 0
17 mol 225 unq 6 iso 0 dist 6.75968 6.51997 4.77967 9.02494 11.5114 9.76678 numMergedOcc 0
18 mol 225 unq 7 iso 0 dist 6.75968 6.51997 4.77967 8.83641 3.90246 5.41981 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 7.62034 9.85618 14.3973 8.32786 4.01942 15.3142 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 7.62034 9.85618 14.3973 5.09952 11.0805 4.93496 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 9.10682 8.43682 7.01087 8.26228 12.9881 10.1415 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 9.10682 6.20796 4.33194 8.26228 12.9881 11.5587 numMergedOcc 0
23 mol 264 unq 2 iso 0 dist 9.10682 9.82685 6.9758 9.05194 11.3526 10.4585 numMergedOcc 0
24 mol 264 unq 3 iso 0 dist 9.10682 9.82685 6.9758 9.02526 8.93485 8.25406 numMergedOcc 0
25 mol 264 unq 4 iso 0 dist 7.60952 9.82685 5.00433 9.05194 6.26054 10.4585 numMergedOcc 0
26 mol 264 unq 5 iso 0 dist 7.60952 9.82685 5.00433 9.02526 3.81537 8.25406 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 6.33388 6.45955 10.0862 7.33086 3.92892 8.13925 numMergedOcc 0
28 mol 294 unq 1 iso 0 dist 6.33388 6.45955 10.0862 7.88971 5.10042 12.1489 numMergedOcc 0
29 mol 294 unq 2 iso 0 dist 6.33388 6.45955 10.0862 6.82335 6.48913 6.18981 numMergedOcc 0
30 mol 294 unq 3 iso 0 dist 6.33388 8.86937 12.8121 7.33086 3.92892 11.3477 numMergedOcc 0
31 mol 294 unq 4 iso 0 dist 6.33388 8.86937 12.8121 7.88971 5.10042 15.8772 numMergedOcc 0
32 mol 294 unq 5 iso 0 dist 6.33388 8.86937 12.8121 6.82335 6.48913 7.45368 numMergedOcc 0
