0 mol 13 unq 0 iso 0 dist 6.02651 6.42789 8.63643 10.261 5.61058 9.45635 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.20106 11.1708 6.52528 16.4691 10.3024 9.45635 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 7.76514 4.93518 6.52528 14.0503 10.3024 9.45635 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.18794 8.34136 7.6477 7.53042 4.43881 6.07517 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 8.18794 8.34136 7.6477 11.534 9.17153 6.74179 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 7.62469 4.9903 8.21247 9.17086 5.39546 6.6263 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 7.62469 4.9903 8.21247 10.615 12.2906 6.75943 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 5.37449 7.15288 9.73179 6.62246 4.80624 6.72869 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 5.37449 7.15288 9.73179 12.885 14.1154 9.85905 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 6.39026 7.12458 6.6536 14.4175 10.8268 7.7988 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 6.39026 7.12458 6.6536 14.7276 11.179 9.40824 numMergedOcc 0
11 mol 112 unq 2 iso 0 dist 6.39026 7.12458 6.6536 8.6342 4.87668 4.22363 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 4.73804 7.15161 8.88752 11.6202 10.9364 8.77023 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 9.06599 10.541 8.99128 15.7513 14.7612 8.97626 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.60838 13.1601 8.09915 14.3771 5.25279 9.3498 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 9.60838 13.1601 8.09915 16.0183 9.29114 7.05695 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 7.6409 9.55695 6.84679 10.0278 5.5366 7.2793 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 7.69352 8.55619 7.86042 10.0438 7.17757 9.10817 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 7.69352 8.55619 7.86042 11.3038 5.75906 6.86828 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.27071 5.23547 7.53734 11.6645 13.6728 7.21137 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 8.27071 5.23547 7.53734 10.8041 7.78052 8.4844 numMergedOcc 0
21 mol 205 unq 2 iso 0 dist 8.63185 9.39472 8.92597 13.3697 7.22201 7.21137 numMergedOcc 0
22 mol 205 unq 3 iso 0 dist 8.63185 9.39472 8.92597 11.5674 12.3312 8.4844 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 8.50367 4.61281 7.80421 11.7997 5.92474 8.63693 numMergedOcc 0
24 mol 210 unq 1 iso 0 dist 8.94889 10.3044 7.80421 12.598 5.92474 8.63693 numMergedOcc 0
25 mol 217 unq 0 iso 0 dist 7.95365 8.78812 7.00456 14.3686 8.71371 9.62437 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 5.17916 7.60854 7.99441 11.7367 9.84386 5.56538 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 5.17916 5.13817 6.71817 11.7367 9.84386 7.48954 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 7.0412 13.5014 8.69052 15.9897 10.3976 8.14831 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 7.75366 4.48114 5.52788 7.64276 10.313 9.12776 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 7.75366 4.48114 5.52788 13.6759 7.04671 9.72188 numMergedOcc 0
