0 mol 39 unq 0 iso 0 dist 6.38956 12.0212 8.76925 5.66801 8.61287 9.04728 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 6.38956 12.0212 8.76925 4.16606 7.92518 11.4523 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.87326 8.24627 5.48997 9.94188 7.50377 11.1122 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 5.99047 9.16318 5.48997 3.62638 7.50377 11.1122 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 9.39344 8.19733 7.64192 5.30464 9.62431 4.475 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 6.45731 7.39545 6.93718 5.61773 5.64587 5.50996 numMergedOcc 0
6 mol 158 unq 0 iso 0 dist 8.57243 12.5458 8.95432 6.32612 7.68074 11.7299 numMergedOcc 0
7 mol 158 unq 1 iso 0 dist 8.57243 12.5458 8.95432 7.80921 9.1854 17.16 numMergedOcc 0
8 mol 172 unq 0 iso 0 dist 6.16303 6.78233 7.77643 4.44701 8.03455 5.96894 numMergedOcc 0
9 mol 172 unq 1 iso 0 dist 6.16303 8.65462 4.90175 4.44701 8.03455 9.2371 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 7.74764 5.80424 9.60838 14.2497 8.09915 13.1601 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 5.82681 4.95637 7.6409 6.21482 6.84679 9.55695 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 9.30279 4.12996 8.50367 5.11101 7.80421 4.61281 numMergedOcc 0
13 mol 210 unq 1 iso 0 dist 9.30279 4.12996 8.50367 7.47693 9.71107 6.94265 numMergedOcc 0
14 mol 210 unq 2 iso 0 dist 9.30279 4.12996 8.50367 10.5246 9.7449 9.08763 numMergedOcc 0
15 mol 210 unq 3 iso 0 dist 9.30279 6.5876 8.94889 5.11101 7.80421 10.3044 numMergedOcc 0
16 mol 210 unq 4 iso 0 dist 9.30279 6.5876 8.94889 7.47693 9.71107 4.3844 numMergedOcc 0
17 mol 210 unq 5 iso 0 dist 9.30279 6.5876 8.94889 10.5246 9.7449 6.85132 numMergedOcc 0
18 mol 217 unq 0 iso 0 dist 8.04881 6.21857 7.95365 8.54792 7.00456 8.78812 numMergedOcc 0
19 mol 217 unq 1 iso 0 dist 8.04881 6.21857 7.95365 13.7095 8.99484 14.0642 numMergedOcc 0
20 mol 267 unq 0 iso 0 dist 6.54894 8.72742 8.21131 11.6034 5.463 9.10508 numMergedOcc 0
21 mol 267 unq 1 iso 0 dist 6.54894 8.72742 8.21131 5.23612 8.68244 10.0159 numMergedOcc 0
22 mol 267 unq 2 iso 0 dist 6.54894 8.72742 8.21131 9.74815 9.46729 13.2368 numMergedOcc 0
23 mol 271 unq 0 iso 0 dist 6.56531 5.22029 5.76281 9.16361 9.86908 7.4613 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 6.99084 7.01799 8.5458 4.38471 8.43856 4.53492 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 6.99084 8.22833 8.56533 4.38471 8.43856 9.26749 numMergedOcc 0
26 mol 287 unq 2 iso 0 dist 5.1936 7.01799 8.47385 4.38471 5.83857 4.53492 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 6.99084 7.01799 8.5458 4.38471 8.43856 4.53492 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 6.99084 8.22833 8.56533 4.38471 8.43856 9.26749 numMergedOcc 0
29 mol 288 unq 2 iso 0 dist 5.1936 7.01799 8.47385 4.38471 5.83857 4.53492 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 6.99084 7.01799 8.5458 4.38471 8.43856 4.53492 numMergedOcc 0
31 mol 289 unq 1 iso 0 dist 6.99084 8.22833 8.56533 4.38471 8.43856 9.26749 numMergedOcc 0
32 mol 289 unq 2 iso 0 dist 5.1936 7.01799 8.47385 4.38471 5.83857 4.53492 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 9.89794 7.74874 9.60309 4.14327 7.38515 4.30667 numMergedOcc 0
