0 mol 1 unq 0 iso 0 dist 9.56692 4.86523 5.96833 7.68779 5.11735 6.86701 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 7.61429 5.01743 7.58093 11.321 10.8486 7.28228 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.57393 11.5706 8.96498 15.1314 10.331 8.3733 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 6.04885 12.0478 8.96498 16.0409 10.331 8.3733 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 5.86276 6.12049 5.47706 10.0852 4.92509 6.85523 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 5.86276 6.12049 5.47706 6.89185 5.22036 8.65848 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 5.86276 4.94803 8.89842 6.89185 5.22036 7.25801 numMergedOcc 0
7 mol 78 unq 3 iso 0 dist 5.86276 12.8531 8.07568 10.0852 4.92509 5.77326 numMergedOcc 0
8 mol 78 unq 4 iso 0 dist 8.16546 8.07529 5.47706 7.80757 4.92509 6.85523 numMergedOcc 0
9 mol 78 unq 5 iso 0 dist 8.16546 8.07529 5.47706 5.5849 5.22036 8.65848 numMergedOcc 0
10 mol 78 unq 6 iso 0 dist 8.16546 6.52163 8.89842 5.5849 5.22036 7.25801 numMergedOcc 0
11 mol 78 unq 7 iso 0 dist 8.16546 12.9164 8.07568 7.80757 4.92509 5.77326 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 6.41059 6.05927 8.0168 11.3667 10.7942 6.39384 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 6.41059 6.05927 8.0168 14.0167 10.9739 9.42082 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 6.53104 5.94916 7.65255 11.1807 10.2377 6.24825 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 9.08874 6.7159 9.94053 11.2941 4.91401 8.84018 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.87854 11.9181 9.08536 19.3645 16.7975 8.95212 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 9.87854 11.9181 9.08536 14.5766 7.36192 6.99446 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 9.87854 11.9181 9.08536 17.9511 10.6679 7.64052 numMergedOcc 0
19 mol 119 unq 3 iso 0 dist 8.15125 11.3005 6.13374 17.2033 10.3457 8.95212 numMergedOcc 0
20 mol 119 unq 4 iso 0 dist 8.15125 11.3005 6.13374 13.4745 6.35763 6.99446 numMergedOcc 0
21 mol 119 unq 5 iso 0 dist 8.15125 11.3005 6.13374 17.2484 10.0197 7.64052 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 4.86894 7.21648 8.18023 8.72463 5.44503 7.36975 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 4.86894 9.42107 7.46803 8.72463 5.44503 5.40637 numMergedOcc 0
24 mol 168 unq 0 iso 0 dist 6.80155 9.96378 7.06851 10.12 8.67522 6.02086 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 9.69154 10.0898 9.27218 13.185 5.2908 9.10817 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 9.69154 10.0898 9.27218 13.1914 6.23998 6.86828 numMergedOcc 0
27 mol 197 unq 2 iso 0 dist 9.49122 13.0947 9.27218 6.22696 5.2908 9.10817 numMergedOcc 0
28 mol 197 unq 3 iso 0 dist 9.49122 13.0947 9.27218 11.5553 6.23998 6.86828 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 6.74861 12.8946 8.70987 6.83122 6.67959 7.46481 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.14992 10.1438 9.82327 16.3459 10.0613 9.07475 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 9.14992 9.74369 7.06768 16.3459 10.0613 6.99888 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 9.14992 9.74369 7.06768 12.0016 5.03393 9.08509 numMergedOcc 0
