0 mol 5 unq 0 iso 0 dist 7.4332 9.45559 4.84696 8.33646 6.14476 10.9683 8.41594 9.70883 7.64769 13.9409 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.4332 9.45559 4.84696 8.33646 6.14476 10.9683 12.663 11.5358 8.31759 16.4552 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.08736 9.74528 14.8738 7.86896 8.68293 6.84216 15.0022 19.4932 6.83186 11.0597 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.93747 9.39265 4.5481 9.1771 8.34957 11.0597 3.74336 10.7823 9.2057 12.3916 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.51319 8.49887 2.58673 10.7979 7.69926 5.85237 13.5026 9.52926 7.07839 3.88489 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 7.51319 8.49887 2.58673 10.7979 7.69926 5.85237 10.1386 10.9264 9.09711 7.33192 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 7.51319 8.49887 2.58673 10.7979 7.69926 5.85237 13.1772 10.4386 7.91193 5.78841 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 7.51319 8.49887 2.58673 10.7979 7.69926 5.85237 6.90443 6.67137 7.04244 6.35602 numMergedOcc 0
8 mol 85 unq 4 iso 0 dist 7.51319 8.49887 2.58673 10.7979 7.69926 5.85237 17.0873 9.78707 9.63449 13.5979 numMergedOcc 0
9 mol 85 unq 5 iso 0 dist 8.49887 7.51319 2.58673 10.7979 5.85237 7.69926 6.90443 7.04244 6.67137 6.35602 numMergedOcc 0
10 mol 85 unq 6 iso 0 dist 8.49887 7.51319 2.58673 10.7979 5.85237 7.69926 17.0873 9.63449 9.78707 13.5979 numMergedOcc 0
11 mol 85 unq 7 iso 0 dist 8.49887 7.51319 2.58673 15.9875 9.11768 9.7173 6.90443 7.04244 6.67137 10.5854 numMergedOcc 0
12 mol 85 unq 8 iso 0 dist 8.49887 7.51319 2.58673 15.9875 9.11768 9.7173 17.0873 9.63449 9.78707 10.0606 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 4.79423 6.97766 6.13455 8.24478 5.90765 12.038 5.86994 7.25595 4.87942 12.1883 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 7.56217 9.81055 3.78714 13.445 9.52922 11.7672 11.7008 5.10542 4.68722 12.8006 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 7.56217 9.81055 3.78714 13.445 9.52922 11.7672 14.7138 7.52366 5.18325 12.2051 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 9.81055 7.56217 3.78714 18.4888 9.38984 13.001 11.7008 4.68722 5.10542 11.6641 numMergedOcc 0
17 mol 194 unq 3 iso 0 dist 9.81055 7.56217 3.78714 19.6126 9.91118 13.1712 11.7008 4.68722 5.10542 10.0534 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 9.05161 6.93942 3.10832 4.75041 7.81382 5.77511 8.8893 11.5048 8.66299 10.0874 numMergedOcc 0
19 mol 253 unq 1 iso 0 dist 9.77366 9.31626 3.10832 8.62694 7.81382 5.77511 13.3075 11.5048 8.66299 10.0874 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 4.95415 7.36137 3.00605 5.98169 9.29666 12.0003 12.2408 7.80711 7.8598 14.5358 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 4.95415 7.36137 3.00605 5.98169 9.29666 12.0003 13.1028 9.9965 8.25286 18.7228 numMergedOcc 0
22 mol 266 unq 2 iso 0 dist 6.38519 6.83784 3.00605 13.8919 9.29666 12.0003 5.34431 7.80711 7.8598 14.5358 numMergedOcc 0
23 mol 266 unq 3 iso 0 dist 6.38519 6.83784 3.00605 13.8919 9.29666 12.0003 8.39575 9.9965 8.25286 18.7228 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 4.1545 4.25172 3.41319 10.4297 7.42932 10.5562 5.11865 7.98956 5.86185 14.2348 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 4.1545 4.25172 3.41319 5.77904 4.9764 6.36559 5.11865 7.98956 5.86185 7.75371 numMergedOcc 0
26 mol 277 unq 2 iso 0 dist 4.25172 4.1545 3.41319 5.77904 6.36559 4.9764 5.11865 5.86185 7.98956 7.75371 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 7.08681 4.95596 11.9982 9.237 5.03601 13.3277 4.57431 8.80238 5.88958 8.33646 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 7.08681 6.3508 11.9803 9.237 5.03601 13.1368 4.57431 8.80238 7.78121 8.33646 numMergedOcc 0
