0 mol 20 unq 0 iso 0 dist 8.72023 5.48225 8.25405 10.3469 9.46385 7.99756 8.77584 12.7734 7.06175 6.09002 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.27383 4.00553 6.87028 6.79356 6.21346 9.10675 10.8153 14.62 13.5805 9.23438 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.27383 4.00553 6.87028 6.79356 6.21346 9.10675 8.62958 10.9864 10.0669 7.17488 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 9.92283 10.9279 4.99604 11.5809 4.25001 5.92828 5.0812 6.43433 6.95317 6.87434 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.77116 6.9194 9.6121 10.1864 10.7475 4.55071 11.6667 14.7025 6.30721 4.80684 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 7.77116 6.9194 9.6121 10.1864 10.7475 4.55071 17.2349 16.8218 10.5082 7.60162 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 18.4634 12.7348 4.94473 15.2154 11.4153 4.63567 6.09063 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 8.20836 16.4114 8.48313 20.8896 12.7348 4.94473 18.641 11.4153 4.63567 6.09063 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 9.56197 6.89047 8.57801 14.8324 9.28201 8.92135 9.41955 7.24795 3.90244 5.90765 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 8.64409 12.6058 8.57801 17.3863 9.28201 8.92135 13.684 7.24795 3.90244 5.90765 numMergedOcc 0
10 mol 186 unq 2 iso 0 dist 7.60202 7.21555 8.57801 13.011 9.28201 8.92135 9.45987 7.24795 3.90244 5.90765 numMergedOcc 0
11 mol 186 unq 3 iso 0 dist 9.83476 15.0914 6.07389 15.2176 8.54557 9.4366 18.0924 13.487 11.6282 9.65093 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 6.26839 10.0756 5.53324 11.7672 10.0237 5.89939 17.7841 17.0301 13.9836 9.38984 numMergedOcc 0
13 mol 194 unq 1 iso 0 dist 6.26839 10.0756 5.53324 11.7672 10.0237 5.89939 18.3664 18.7093 15.5573 9.91118 numMergedOcc 0
14 mol 194 unq 2 iso 0 dist 8.12346 10.2793 5.53324 11.2599 7.82899 4.45769 8.0179 6.26839 10.0756 9.52922 numMergedOcc 0
15 mol 194 unq 3 iso 0 dist 8.12346 10.2793 5.53324 11.0369 10.0237 5.89939 13.0907 17.0301 13.9836 9.38984 numMergedOcc 0
16 mol 194 unq 4 iso 0 dist 8.12346 10.2793 5.53324 11.0369 10.0237 5.89939 15.4987 18.7093 15.5573 9.91118 numMergedOcc 0
17 mol 194 unq 5 iso 0 dist 8.83356 10.463 5.53324 14.7152 7.82899 4.45769 14.6506 6.26839 10.0756 9.52922 numMergedOcc 0
18 mol 194 unq 6 iso 0 dist 8.83356 10.463 5.53324 15.9798 10.0237 5.89939 21.6132 17.0301 13.9836 9.38984 numMergedOcc 0
19 mol 194 unq 7 iso 0 dist 8.83356 10.463 5.53324 15.9798 10.0237 5.89939 24.5899 18.7093 15.5573 9.91118 numMergedOcc 0
20 mol 194 unq 8 iso 0 dist 8.2654 12.8494 5.53324 14.7929 7.82899 4.45769 8.48054 6.26839 10.0756 9.52922 numMergedOcc 0
21 mol 194 unq 9 iso 0 dist 8.2654 12.8494 5.53324 15.7836 10.0237 5.89939 19.2324 17.0301 13.9836 9.38984 numMergedOcc 0
22 mol 194 unq 10 iso 0 dist 8.2654 12.8494 5.53324 15.7836 10.0237 5.89939 21.6638 18.7093 15.5573 9.91118 numMergedOcc 0
23 mol 251 unq 0 iso 0 dist 8.01198 4.86046 6.42747 11.6079 10.3735 7.72528 13.047 10.0608 11.5298 8.45764 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 6.11473 5.6214 9.39658 14.2216 19.1465 9.81261 13.3761 19.4536 12.2555 8.55044 numMergedOcc 0
25 mol 252 unq 1 iso 0 dist 6.53679 5.6214 5.9974 14.2216 14.8966 9.81261 13.3761 16.6669 12.2555 8.55044 numMergedOcc 0
26 mol 252 unq 2 iso 0 dist 7.50201 7.40852 5.9974 12.9602 14.8966 9.81261 10.995 16.6669 12.2555 8.55044 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 7.67245 10.0918 7.59696 5.35705 5.78276 7.56691 5.74345 9.12395 6.48173 6.64378 numMergedOcc 0
28 mol 278 unq 1 iso 0 dist 9.12395 6.48173 7.59696 6.64378 5.78276 7.56691 5.74345 7.67245 10.0918 5.35705 numMergedOcc 0
