0 mol 43 unq 0 iso 0 dist 8.54999 12.4431 9.76585 6.81531 8.84944 6.95983 6.66552 7.67459 14.0003 11.3412 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.54999 12.4431 9.76585 10.5856 7.21995 11.3999 6.66552 7.67459 14.0003 5.88097 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.25196 6.11542 9.70196 6.39129 8.16246 4.64745 5.05748 6.29755 9.11627 10.4221 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 8.88159 6.11542 9.25341 6.39129 9.48823 4.64745 5.05748 7.4038 9.11627 10.4221 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 9.43192 4.90661 8.62244 9.5944 7.15248 10.5984 5.49536 9.8048 7.5068 12.8718 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 9.43192 4.90661 8.62244 6.26086 8.43162 9.67456 5.49536 9.8048 7.5068 9.08666 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.63813 5.19612 8.92491 8.65163 5.73235 8.04327 4.96793 9.26231 9.81264 10.2556 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 7.63813 5.19612 8.92491 11.1941 7.48127 14.685 4.96793 9.26231 9.81264 8.90561 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 7.63813 9.45571 7.41861 8.65163 5.73235 7.7047 4.96793 9.26231 7.01534 10.2556 numMergedOcc 0
9 mol 76 unq 3 iso 0 dist 7.63813 9.45571 7.41861 11.1941 7.48127 4.00834 4.96793 9.26231 7.01534 8.90561 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 9.90769 10.6504 6.77845 15.5212 7.2118 9.39588 7.97948 7.9309 5.83828 9.9201 numMergedOcc 0
11 mol 83 unq 1 iso 0 dist 9.90769 6.65429 5.48555 15.5212 7.2118 12.0034 7.97948 7.9309 7.62986 9.9201 numMergedOcc 0
12 mol 83 unq 2 iso 0 dist 9.90769 9.4696 5.39805 15.5212 7.2118 6.61275 7.97948 7.9309 3.52321 9.9201 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 9.42064 5.34511 8.75165 9.45543 6.79959 7.3651 11.3296 8.88401 13.9402 10.503 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 6.33118 3.39334 8.80952 8.85571 9.96635 11.2678 9.51094 8.95432 9.41162 17.5374 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 6.23903 5.27994 6.0782 7.14992 8.97652 5.66126 5.24086 9.84649 7.60712 4.92164 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 8.39603 5.50571 6.0782 10.0544 8.97652 5.66126 13.0499 9.84649 7.60712 4.92164 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 8.27545 11.9796 9.78743 4.2039 6.2016 13.2525 5.31675 5.83093 9.99333 6.16078 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 6.77267 7.74816 4.53228 4.20175 8.26312 10.9464 11.0259 7.10828 4.53635 13.8702 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 6.77267 7.74816 4.53228 4.43495 7.58554 6.54316 11.0259 7.10828 4.53635 8.46058 numMergedOcc 0
20 mol 239 unq 2 iso 0 dist 6.77267 6.45423 8.54078 4.20175 8.26312 10.4394 11.0259 7.10828 9.93977 13.8702 numMergedOcc 0
21 mol 239 unq 3 iso 0 dist 6.77267 6.45423 8.54078 4.43495 7.58554 6.2497 11.0259 7.10828 9.93977 8.46058 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 5.25409 7.07706 9.4943 4.06072 6.37998 5.71611 11.0408 8.46311 8.68925 9.503 numMergedOcc 0
23 mol 294 unq 1 iso 0 dist 5.25409 7.07706 9.4943 5.29391 9.77023 7.88101 11.0408 8.46311 8.68925 14.1763 numMergedOcc 0
