0 mol 58 unq 0 iso 0 dist 7.13638 4.35705 7.6481 6.85539 8.55712 10.7828 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 7.11013 12.6241 9.63599 8.47393 9.11491 5.84075 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.46478 4.32784 6.05495 3.81285 5.61151 5.22259 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 7.46478 4.32784 6.05495 6.17121 6.54289 7.66499 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 9.02541 11.296 9.10794 5.56913 7.75479 8.11413 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 6.32393 13.0372 7.33541 7.68828 5.45882 11.746 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 6.32393 13.0372 7.33541 8.44413 4.57487 9.9322 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.96294 4.46354 5.52683 6.8842 6.40751 3.84623 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 9.76389 6.74216 5.52683 5.05002 6.40751 3.84623 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 7.6461 9.90045 5.26989 3.70196 9.75587 10.5099 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 7.6461 10.0807 7.76442 3.70196 9.75587 9.18464 numMergedOcc 0
11 mol 141 unq 4 iso 0 dist 7.1093 4.34943 5.26989 14.6694 9.75587 10.5099 numMergedOcc 0
12 mol 141 unq 5 iso 0 dist 7.1093 9.87387 7.76442 14.6694 9.75587 9.18464 numMergedOcc 0
13 mol 141 unq 6 iso 0 dist 7.36421 4.50791 5.26989 12.2631 9.75587 10.5099 numMergedOcc 0
14 mol 141 unq 7 iso 0 dist 7.36421 4.40308 7.76442 12.2631 9.75587 9.18464 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 8.80672 10.1877 7.10526 6.82158 4.51124 3.85186 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 8.80672 10.1877 7.10526 11.8793 8.41517 9.61866 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 8.58887 16.018 8.90076 4.91784 8.71877 13.8952 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.58887 14.4465 6.62002 4.91784 8.71877 12.856 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 5.75996 8.9959 8.08764 3.65952 5.50017 7.18773 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 7.44932 12.8119 8.08764 7.05149 5.50017 7.18773 numMergedOcc 0
21 mol 250 unq 0 iso 0 dist 9.7235 4.4151 5.97993 5.12318 8.73744 4.14699 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 5.88787 4.40079 5.40318 3.99477 5.94614 6.31696 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 8.66938 7.79184 5.7131 4.94483 3.93401 4.30125 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 9.97399 6.25614 5.7131 6.85091 3.93401 4.30125 numMergedOcc 0
