0 mol 5 unq 0 iso 0 dist 7.77059 4.73815 5.44356 11.7909 5.69239 8.39424 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.45559 8.27541 5.63302 8.41594 7.64769 5.8674 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 9.45559 8.27541 5.63302 12.663 8.31759 6.88126 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.4332 8.27541 5.70163 8.41594 9.70883 5.8674 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.4332 8.27541 5.70163 11.6739 9.65565 11.1601 numMergedOcc 0
5 mol 28 unq 0 iso 0 dist 7.7871 7.91577 8.47637 11.1346 8.53424 13.6544 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 7.7871 7.91577 8.47637 10.8275 7.08766 11.0902 numMergedOcc 0
7 mol 28 unq 2 iso 0 dist 7.7871 7.91577 8.47637 7.90018 4.82199 8.59089 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 6.89855 4.10935 9.58748 5.04771 8.14512 5.59559 numMergedOcc 0
9 mol 63 unq 1 iso 0 dist 6.89855 4.10935 9.58748 9.54378 9.13228 9.7326 numMergedOcc 0
10 mol 63 unq 2 iso 0 dist 7.85738 5.99898 9.58748 9.28052 8.14512 5.59559 numMergedOcc 0
11 mol 63 unq 3 iso 0 dist 7.85738 5.99898 9.58748 4.44607 9.13228 9.7326 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 6.11101 4.9089 8.70827 5.72585 9.07629 8.43906 numMergedOcc 0
13 mol 78 unq 1 iso 0 dist 6.11101 4.9089 8.70827 7.38398 8.61143 12.2898 numMergedOcc 0
14 mol 78 unq 2 iso 0 dist 6.11101 9.93419 9.86479 5.72585 9.07629 14.7216 numMergedOcc 0
15 mol 78 unq 3 iso 0 dist 6.11101 9.93419 9.86479 7.38398 8.61143 16.1736 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 5.23929 8.55658 6.9447 4.90515 5.20429 3.80877 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 5.23929 8.55658 6.9447 5.08254 8.71366 12.771 numMergedOcc 0
18 mol 111 unq 0 iso 0 dist 8.11813 4.25602 6.34004 6.42834 4.91212 5.39108 numMergedOcc 0
19 mol 111 unq 1 iso 0 dist 8.11813 4.25602 6.34004 15.1151 9.34782 13.201 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 4.79423 7.88814 9.64977 5.86994 7.25595 13.3603 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 4.79423 7.88814 9.64977 8.74892 9.94825 11.4647 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 9.81055 11.6792 8.93352 11.7008 4.68722 13.336 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 9.81055 11.6792 8.93352 14.7138 5.18325 11.2435 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 9.58346 9.45628 9.24832 8.44261 6.80296 9.90756 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 9.60549 9.2028 9.24832 13.8891 6.80296 9.90756 numMergedOcc 0
26 mol 233 unq 0 iso 0 dist 8.2484 9.28737 8.07857 5.02086 7.83831 7.15895 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 7.36137 5.62596 8.53393 12.2408 7.8598 13.7573 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 7.36137 5.62596 8.53393 13.1028 8.25286 10.0357 numMergedOcc 0
29 mol 266 unq 2 iso 0 dist 6.83784 9.61883 8.53393 5.34431 7.8598 13.7573 numMergedOcc 0
30 mol 266 unq 3 iso 0 dist 6.83784 9.61883 8.53393 8.39575 8.25286 10.0357 numMergedOcc 0
31 mol 266 unq 4 iso 0 dist 4.95415 5.62596 7.24165 12.2408 7.80711 13.7573 numMergedOcc 0
32 mol 266 unq 5 iso 0 dist 4.95415 5.62596 7.24165 13.1028 9.9965 10.0357 numMergedOcc 0
33 mol 266 unq 6 iso 0 dist 6.38519 9.61883 7.24165 5.34431 7.80711 13.7573 numMergedOcc 0
34 mol 266 unq 7 iso 0 dist 6.38519 9.61883 7.24165 8.39575 9.9965 10.0357 numMergedOcc 0
35 mol 268 unq 0 iso 0 dist 7.40323 3.28649 6.38058 5.39453 9.52476 6.58875 numMergedOcc 0
36 mol 268 unq 1 iso 0 dist 7.40323 5.87937 9.5334 5.39453 9.52476 9.70591 numMergedOcc 0
37 mol 284 unq 0 iso 0 dist 8.2236 16.0873 8.82497 8.4652 5.6964 8.65336 numMergedOcc 0
