0 mol 17 unq 0 iso 0 dist 8.84341 9.83585 7.93342 6.20094 5.16502 10.8533 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 8.84341 9.83585 7.93342 8.77993 8.26398 14.0728 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.53735 5.03531 6.36636 12.9455 9.82851 10.2035 numMergedOcc 0
3 mol 31 unq 0 iso 0 dist 9.44367 9.21029 3.57805 7.43792 9.67338 9.95496 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 5.0478 7.18148 10.1455 8.69776 5.27979 10.2786 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.54821 7.45026 5.97902 9.22808 8.61893 12.343 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 5.80081 5.35509 3.80087 5.22187 4.92382 4.88514 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 6.49728 5.35509 3.80763 14.253 8.40695 10.3516 numMergedOcc 0
8 mol 141 unq 2 iso 0 dist 6.49728 5.35509 3.80763 14.7502 9.35867 12.6128 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 9.58371 4.80508 11.8112 13.3796 9.45696 16.5348 numMergedOcc 0
10 mol 158 unq 1 iso 0 dist 9.58371 4.88625 10.454 13.3796 9.45696 13.9538 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 9.84034 9.71467 4.05067 10.2668 9.06389 10.8477 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 8.07237 6.03628 4.05067 9.12568 9.06389 10.8477 numMergedOcc 0
13 mol 214 unq 2 iso 0 dist 8.95218 9.22105 10.6198 8.77167 9.06389 15.9979 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 7.06589 8.86676 5.68255 5.90516 9.82605 10.2265 numMergedOcc 0
15 mol 253 unq 1 iso 0 dist 7.06589 8.86676 5.68255 4.67411 9.73723 8.66299 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 9.00866 8.4346 4.4384 16.1872 9.50951 10.1092 numMergedOcc 0
17 mol 254 unq 1 iso 0 dist 9.00866 7.97728 6.09569 16.1872 9.50951 12.7371 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 8.60481 6.01365 10.5492 6.59605 8.1769 12.1796 numMergedOcc 0
19 mol 278 unq 1 iso 0 dist 8.60481 6.01365 10.5492 5.55931 7.1656 9.32042 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 5.61727 4.69611 3.57807 3.39008 7.74874 5.6964 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 5.62568 6.23874 5.9468 10.0544 7.99204 10.9435 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 5.62568 6.68956 3.63993 10.0544 7.99204 11.2783 numMergedOcc 0
23 mol 287 unq 2 iso 0 dist 9.52718 8.08382 5.39801 6.1158 9.25759 4.68668 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 5.62568 6.23874 5.9468 10.0544 7.99204 10.9435 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 5.62568 6.68956 3.63993 10.0544 7.99204 11.2783 numMergedOcc 0
26 mol 288 unq 2 iso 0 dist 9.52718 8.08382 5.39801 6.1158 9.25759 4.68668 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 5.62568 6.23874 5.9468 10.0544 7.99204 10.9435 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 5.62568 6.68956 3.63993 10.0544 7.99204 11.2783 numMergedOcc 0
29 mol 289 unq 2 iso 0 dist 9.52718 8.08382 5.39801 6.1158 9.25759 4.68668 numMergedOcc 0
