0 mol 4 unq 0 iso 0 dist 5.39008 6.10734 5.12621 9.39293 7.29079 11.2242 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.99724 9.86409 8.89091 15.0049 8.94643 15.8239 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.25499 9.40183 4.03124 5.92977 6.93011 7.48723 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 9.46895 6.19304 12.7517 6.59787 5.42426 10.3586 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.26536 8.31266 5.36591 7.30094 4.36944 9.57429 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.26536 8.51459 7.7159 7.30094 4.36944 12.0481 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 8.5614 7.38183 9.5453 4.49266 5.28634 8.38715 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 8.95432 8.57657 7.35951 5.70473 7.76952 10.7901 numMergedOcc 0
8 mol 158 unq 1 iso 0 dist 8.95432 8.57657 7.35951 17.2865 9.98554 14.1733 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.6409 8.09667 4.93748 11.1208 8.35588 13.1354 numMergedOcc 0
10 mol 193 unq 0 iso 0 dist 8.71993 6.28889 9.08423 16.1667 9.50113 18.2882 numMergedOcc 0
11 mol 193 unq 1 iso 0 dist 8.71993 6.28889 9.08423 4.40965 9.73679 10.5666 numMergedOcc 0
12 mol 203 unq 0 iso 0 dist 7.72215 8.83947 6.40721 9.99456 9.58652 15.1515 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 8.24741 6.82883 4.66376 10.4 9.84378 13.0915 numMergedOcc 0
14 mol 226 unq 1 iso 0 dist 8.24741 6.95495 13.3747 10.4 9.84378 17.2594 numMergedOcc 0
15 mol 226 unq 2 iso 0 dist 5.07958 8.22518 4.66376 5.92594 9.84378 13.0915 numMergedOcc 0
16 mol 226 unq 3 iso 0 dist 6.19519 6.02803 4.66376 15.5677 9.84378 13.0915 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 6.2667 5.60146 4.89551 7.17774 9.45199 9.30179 numMergedOcc 0
18 mol 244 unq 1 iso 0 dist 6.2667 5.60146 4.89551 5.2958 9.07512 6.10489 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 9.38192 9.88841 5.52134 3.67073 7.14871 9.41212 numMergedOcc 0
