0 mol 34 unq 0 iso 0 dist 8.36524 7.66913 7.86199 10.0272 7.18022 12.8273 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.36524 7.66913 7.86199 6.65242 6.24711 10.5579 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 9.35453 10.7805 6.59001 6.66407 13.7086 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.27156 9.51503 10.0059 7.751 6.9103 12.5091 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.9651 8.44761 10.0743 4.60844 9.8703 10.6667 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 5.9651 6.81124 6.20057 4.60844 9.8703 10.0742 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.61812 9.58313 4.86592 17.6236 9.90751 13.9158 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.61812 9.58313 4.86592 17.5707 9.21662 11.1692 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 6.43255 9.88541 9.29894 7.83378 7.07971 14.1491 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 8.86938 8.65004 11.8396 9.50897 8.47988 10.3786 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 8.86938 8.65004 11.8396 11.9673 8.0427 15.7654 numMergedOcc 0
11 mol 112 unq 2 iso 0 dist 8.86938 9.86487 18.0868 9.50897 8.47988 18.6669 numMergedOcc 0
12 mol 112 unq 3 iso 0 dist 8.86938 9.86487 18.0868 11.9673 8.0427 20.4872 numMergedOcc 0
13 mol 112 unq 4 iso 0 dist 7.42474 8.65004 12.2656 4.9759 9.05166 10.1906 numMergedOcc 0
14 mol 112 unq 5 iso 0 dist 7.42474 8.65004 12.2656 6.59976 5.56994 10.1088 numMergedOcc 0
15 mol 112 unq 6 iso 0 dist 7.42474 9.86487 5.76986 4.9759 9.05166 8.72725 numMergedOcc 0
16 mol 112 unq 7 iso 0 dist 7.42474 9.86487 5.76986 6.59976 5.56994 6.11407 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 7.5055 8.91143 5.81428 6.30012 7.22643 11.9279 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.00172 9.29665 16.1302 7.44092 8.77023 13.1039 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 8.84656 7.85849 5.29786 14.2595 9.33924 12.2587 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 8.84656 7.85849 5.29786 15.9796 7.93372 9.0176 numMergedOcc 0
21 mol 154 unq 0 iso 0 dist 7.34207 8.85675 5.27847 13.1744 8.33439 13.2829 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 5.21803 8.27017 5.8736 4.6728 7.37333 12.2437 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 5.21803 8.27017 5.8736 7.06734 7.45998 13.1079 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 6.09874 9.01017 6.06566 5.43915 8.59874 7.35884 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.52413 8.34668 15.1778 6.21482 7.2793 11.309 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.52413 8.34668 15.1778 6.47581 9.51091 12.6568 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 9.52413 8.34668 15.1778 16.7739 7.85184 22.2768 numMergedOcc 0
28 mol 186 unq 3 iso 0 dist 9.52413 8.76308 8.14815 6.21482 7.2793 11.554 numMergedOcc 0
29 mol 186 unq 4 iso 0 dist 9.52413 8.76308 8.14815 6.47581 9.51091 13.4074 numMergedOcc 0
30 mol 186 unq 5 iso 0 dist 9.52413 8.76308 8.14815 16.7739 7.85184 15.4852 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 6.11505 6.79634 11.6232 12.0822 6.49765 18.0562 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 9.79022 6.59092 7.81483 4.3735 6.31969 5.61969 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 7.151 6.71956 6.28695 10.3171 9.57499 9.26157 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 8.53324 6.71956 4.37645 10.3171 5.46926 9.26157 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 8.53324 6.71956 4.37645 10.6814 5.13913 9.11117 numMergedOcc 0
36 mol 277 unq 3 iso 0 dist 7.23956 6.71956 7.70529 8.60807 9.35539 12.9467 numMergedOcc 0
37 mol 277 unq 4 iso 0 dist 7.23956 6.71956 7.70529 10.3171 8.9682 9.26157 numMergedOcc 0
38 mol 277 unq 5 iso 0 dist 7.23956 6.71956 7.70529 10.6814 6.92711 9.11117 numMergedOcc 0
39 mol 284 unq 0 iso 0 dist 7.43241 6.53769 4.50325 11.847 5.83329 10.2645 numMergedOcc 0
40 mol 285 unq 0 iso 0 dist 8.33653 8.51221 10.4903 12.4844 7.80862 17.8196 numMergedOcc 0
