0 mol 27 unq 0 iso 0 dist 7.57797 8.28463 5.69211 3.71754 10.7742 9.77484 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 6.94532 8.28463 11.3937 3.71754 9.62305 9.77484 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.50287 7.51978 11.6633 5.59128 11.7916 5.02241 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.81202 5.09688 8.71142 10.6273 11.8473 8.72704 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.27056 9.91446 6.27843 7.39527 9.01727 4.76815 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 9.27056 9.26343 8.71142 11.6898 11.8473 8.72704 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 8.70098 8.32004 5.78487 5.66952 6.41992 9.38288 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 8.70098 8.32004 5.78487 4.91188 8.15125 6.19042 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 8.70098 8.32004 5.78487 7.01214 10.6972 7.44174 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 9.51094 9.0339 10.3663 9.29705 14.9958 6.03703 numMergedOcc 0
10 mol 132 unq 1 iso 0 dist 9.51094 8.48641 9.16496 9.29705 14.9958 7.61505 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.43061 4.93035 7.862 6.70767 13.2161 6.93652 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 9.36589 7.39961 10.803 5.58352 13.9944 8.47155 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 9.36589 7.80643 7.7394 5.58352 13.9944 9.36805 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 5.78397 6.64164 5.89138 6.90242 9.35416 8.62646 numMergedOcc 0
15 mol 213 unq 0 iso 0 dist 8.17498 9.06306 17.0455 6.32328 13.2598 8.45368 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 9.87896 6.93507 7.61942 5.63238 11.4042 8.96876 numMergedOcc 0
17 mol 249 unq 1 iso 0 dist 9.87896 6.42827 5.09262 5.63238 11.4042 8.83735 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.39418 7.28096 6.27066 9.67343 7.59237 7.04472 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 7.39418 7.28096 6.27066 6.32031 11.017 6.4778 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 7.39418 7.28096 6.27066 9.67343 7.59237 7.04472 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 7.39418 7.28096 6.27066 6.32031 11.017 6.4778 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 7.39418 7.28096 6.27066 9.67343 7.59237 7.04472 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 7.39418 7.28096 6.27066 6.32031 11.017 6.4778 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 9.62809 7.1984 12.3326 6.28374 5.81774 9.03492 numMergedOcc 0
