0 mol 2 unq 0 iso 0 dist 7.68325 4.27932 6.47123 11.048 9.8324 13.3672 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.35897 9.05783 7.54108 11.8281 9.3647 4.69548 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.50403 3.92096 6.44158 5.97042 6.30436 3.905 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.54999 12.4431 9.76585 6.66552 7.67459 14.0003 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.25196 6.11542 9.70196 5.05748 6.29755 9.11627 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 8.88159 6.11542 9.25341 5.05748 7.4038 9.11627 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 9.43192 4.90661 8.62244 5.49536 9.8048 7.5068 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.63813 5.19612 8.92491 4.96793 9.26231 9.81264 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 7.63813 9.45571 7.41861 4.96793 9.26231 7.01534 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 9.90769 10.6504 6.77845 7.97948 7.9309 5.83828 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 9.90769 6.65429 5.48555 7.97948 7.9309 7.62986 numMergedOcc 0
11 mol 83 unq 2 iso 0 dist 9.90769 9.4696 5.39805 7.97948 7.9309 3.52321 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 9.42064 5.34511 8.75165 11.3296 8.88401 13.9402 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 5.62903 4.32161 5.81553 4.33372 6.39026 4.49464 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 7.74102 5.17313 5.84909 6.04744 9.82274 10.3667 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 7.74102 5.17313 5.84909 4.95069 9.02712 5.91102 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 6.33118 3.39334 8.80952 9.51094 8.95432 9.41162 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 9.23587 6.21824 9.1056 5.07414 4.59484 7.47696 numMergedOcc 0
18 mol 183 unq 0 iso 0 dist 6.23903 5.27994 6.0782 5.24086 9.84649 7.60712 numMergedOcc 0
19 mol 183 unq 1 iso 0 dist 8.39603 5.50571 6.0782 13.0499 9.84649 7.60712 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 8.27545 11.9796 9.78743 5.31675 5.83093 9.99333 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 6.77267 7.74816 4.53228 11.0259 7.10828 4.53635 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 6.77267 6.45423 8.54078 11.0259 7.10828 9.93977 numMergedOcc 0
23 mol 239 unq 2 iso 0 dist 6.70738 10.9426 7.15878 9.59108 9.82057 13.3804 numMergedOcc 0
24 mol 239 unq 3 iso 0 dist 8.55314 12.2142 7.15878 13.5832 9.82057 13.3804 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 9.63091 9.58759 9.99628 11.974 9.92947 4.19031 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 8.57375 5.70683 5.90728 5.72409 6.93798 7.50871 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 5.25409 7.07706 9.4943 11.0408 8.46311 8.68925 numMergedOcc 0
