0 mol 67 unq 0 iso 0 dist 7.98453 4.39526 9.0008 5.16558 4.31746 5.70192 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 7.98453 4.39526 9.0008 9.62459 7.58981 7.65646 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 6.34031 9.46418 7.09065 16.8873 12.9454 7.90328 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 9.19273 5.26498 7.52142 6.12404 4.08294 5.58063 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 5.65876 11.3038 6.90634 16.9171 11.7935 6.01132 numMergedOcc 0
5 mol 173 unq 0 iso 0 dist 6.07708 9.00192 6.64779 7.76856 5.04427 9.56248 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 8.83185 12.188 7.05653 13.8473 6.78739 6.17129 numMergedOcc 0
7 mol 181 unq 1 iso 0 dist 8.83185 12.188 7.05653 15.67 11.3693 5.83596 numMergedOcc 0
8 mol 181 unq 2 iso 0 dist 9.0234 4.56814 7.05653 5.08796 6.78739 6.17129 numMergedOcc 0
9 mol 181 unq 3 iso 0 dist 9.0234 4.56814 7.05653 5.93515 11.3693 5.83596 numMergedOcc 0
10 mol 235 unq 0 iso 0 dist 9.22128 10.584 7.95766 12.628 3.93066 8.19915 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 6.62283 4.40826 6.87131 8.92585 5.18265 7.96197 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 6.62283 6.04481 8.09718 8.92585 5.18265 6.24435 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 8.60978 4.40826 9.69818 8.92585 4.30687 7.96197 numMergedOcc 0
14 mol 238 unq 3 iso 0 dist 8.60978 6.04481 6.73446 8.92585 4.30687 6.24435 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 9.62872 14.7578 7.48235 11.5585 8.73566 8.56029 numMergedOcc 0
16 mol 282 unq 0 iso 0 dist 9.88071 7.00729 6.8972 15.2738 9.11162 9.20119 numMergedOcc 0
17 mol 282 unq 1 iso 0 dist 9.88071 7.00729 6.8972 14.3173 10.842 8.96997 numMergedOcc 0
