0 mol 1 unq 0 iso 0 dist 8.27735 9.80295 6.09918 8.7275 4.50502 7.27254 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 8.84512 9.23428 7.64304 10.1859 3.89238 8.80146 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.88982 14.0137 5.72491 14.1217 7.12508 8.15894 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.8576 13.0722 7.88043 18.0394 12.8323 8.15894 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 8.8576 16.4052 8.80762 18.0394 12.8323 8.45544 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 7.25179 13.647 9.78006 12.539 5.84314 7.05919 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 8.72522 16.2983 9.78006 13.4961 5.84314 7.05919 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.80849 9.90348 6.72502 11.8618 5.11636 8.24948 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 7.34549 14.0065 8.44506 13.5781 7.11305 6.38243 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 8.09068 8.26538 8.44506 11.9639 7.11305 6.38243 numMergedOcc 0
10 mol 26 unq 2 iso 0 dist 9.72289 10.9934 8.44506 14.7493 7.11305 6.38243 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 8.99509 13.4933 8.44903 12.5916 4.96926 7.15901 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 9.10877 3.74136 9.4523 9.43355 10.8106 7.8435 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 9.10877 3.74136 9.4523 5.64141 7.14217 5.99269 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 9.10877 3.74136 9.4523 5.46186 12.9351 5.71763 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 4.31067 10.2492 7.26086 5.44426 3.9764 8.75597 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 6.40792 6.8108 5.39064 10.4837 4.91618 7.19291 numMergedOcc 0
17 mol 140 unq 1 iso 0 dist 6.40792 6.8108 5.39064 10.2604 4.75859 6.66504 numMergedOcc 0
18 mol 140 unq 2 iso 0 dist 7.81701 5.85339 5.39064 9.62309 4.91618 7.19291 numMergedOcc 0
19 mol 140 unq 3 iso 0 dist 7.81701 5.85339 5.39064 11.4796 4.75859 6.66504 numMergedOcc 0
20 mol 147 unq 0 iso 0 dist 9.23551 5.78019 6.28351 8.73613 5.59468 9.43989 numMergedOcc 0
21 mol 147 unq 1 iso 0 dist 7.4653 5.88056 5.49226 15.2832 12.068 9.43989 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 9.37459 13.8158 8.35555 12.8022 4.94983 7.1069 numMergedOcc 0
23 mol 158 unq 0 iso 0 dist 9.03632 4.19444 7.88319 6.68721 13.7172 6.11331 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 7.14849 6.72936 4.92088 5.4647 6.42973 8.25282 numMergedOcc 0
25 mol 178 unq 1 iso 0 dist 8.63718 9.74054 4.92088 14.8114 6.42973 8.25282 numMergedOcc 0
26 mol 183 unq 0 iso 0 dist 9.09322 6.87933 8.54827 9.3066 6.2342 9.20493 numMergedOcc 0
27 mol 183 unq 1 iso 0 dist 9.60723 8.57308 8.54827 14.4922 6.2342 9.20493 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 8.8508 10.5732 7.28841 14.0422 8.0472 8.17226 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 8.16369 12.1694 7.24795 10.1532 3.90244 8.57801 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 7.09426 13.9257 9.83476 19.5773 13.6744 7.04815 numMergedOcc 0
31 mol 186 unq 3 iso 0 dist 7.09426 13.9257 9.83476 19.5659 15.0914 6.07389 numMergedOcc 0
32 mol 198 unq 0 iso 0 dist 9.98332 17.6122 8.10985 17.5769 9.76488 8.8864 numMergedOcc 0
33 mol 198 unq 1 iso 0 dist 9.98332 17.6122 8.10985 12.6688 6.0599 8.12201 numMergedOcc 0
34 mol 198 unq 2 iso 0 dist 9.98332 17.6122 8.10985 15.6314 6.05382 5.45162 numMergedOcc 0
35 mol 212 unq 0 iso 0 dist 8.13678 6.12126 6.29767 5.10392 3.9436 5.50658 numMergedOcc 0
36 mol 212 unq 1 iso 0 dist 8.13678 11.7712 8.74585 5.10392 3.9436 9.22129 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 9.85348 12.85 6.29511 15.525 6.0516 8.04838 numMergedOcc 0
38 mol 236 unq 0 iso 0 dist 5.99137 10.968 8.50331 10.7437 11.5307 9.14068 numMergedOcc 0
