0 mol 83 unq 0 iso 0 dist 8.48766 9.94635 5.97999 10.3407 8.95808 12.6429 numMergedOcc 0
1 mol 83 unq 1 iso 0 dist 6.55004 9.25264 6.31825 6.27574 9.33202 13.5863 numMergedOcc 0
2 mol 83 unq 2 iso 0 dist 6.55004 9.25264 6.31825 5.15058 7.16614 12.1293 numMergedOcc 0
3 mol 83 unq 3 iso 0 dist 6.55004 9.25264 6.31825 8.86913 9.35188 14.1976 numMergedOcc 0
4 mol 108 unq 0 iso 0 dist 6.79804 9.10985 13.2894 7.80411 5.52402 16.4394 numMergedOcc 0
5 mol 108 unq 1 iso 0 dist 6.79804 6.23711 9.59715 7.80411 5.52402 12.8208 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 5.43052 4.78944 7.33204 4.7071 6.70591 8.75206 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 9.75212 8.66256 10.2509 8.833 9.14195 11.8565 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.21256 4.80778 5.57013 5.01776 8.3243 6.58803 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.21256 4.80778 5.57013 11.3944 8.95239 9.96967 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 9.21256 4.80778 5.57013 10.5425 6.23615 6.31523 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 8.3243 6.58803 5.57013 5.01776 9.21256 4.80778 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 8.3243 6.58803 5.57013 7.3347 8.95239 9.96967 numMergedOcc 0
13 mol 133 unq 5 iso 0 dist 8.3243 6.58803 5.57013 12.3753 6.23615 6.31523 numMergedOcc 0
14 mol 133 unq 6 iso 0 dist 8.95239 9.96967 5.57013 11.3944 9.21256 4.80778 numMergedOcc 0
15 mol 133 unq 7 iso 0 dist 8.95239 9.96967 5.57013 7.3347 8.3243 6.58803 numMergedOcc 0
16 mol 133 unq 8 iso 0 dist 8.95239 9.96967 5.57013 14.0664 6.23615 6.31523 numMergedOcc 0
17 mol 133 unq 9 iso 0 dist 6.23615 6.31523 5.57013 10.5425 9.21256 4.80778 numMergedOcc 0
18 mol 133 unq 10 iso 0 dist 6.23615 6.31523 5.57013 12.3753 8.3243 6.58803 numMergedOcc 0
19 mol 133 unq 11 iso 0 dist 6.23615 6.31523 5.57013 14.0664 8.95239 9.96967 numMergedOcc 0
20 mol 139 unq 0 iso 0 dist 8.27507 9.15824 10.9275 7.6075 9.99665 12.4668 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.08095 7.56376 8.155 3.93811 9.34989 10.8509 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 9.08095 9.05875 13.3022 3.93811 9.34989 12.7997 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 7.0795 9.28645 9.12029 3.3846 9.76251 8.9785 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 7.0795 9.80348 4.79336 3.3846 9.76251 12.1918 numMergedOcc 0
25 mol 225 unq 2 iso 0 dist 9.76251 8.9785 9.12029 3.3846 7.0795 9.28645 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 7.99525 6.69874 10.7725 4.19978 9.20965 5.40264 numMergedOcc 0
27 mol 232 unq 1 iso 0 dist 9.20965 5.40264 10.7725 4.19978 7.99525 6.69874 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 7.279 5.68936 9.43294 4.32316 8.43448 9.92463 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 9.33447 7.01175 9.68248 6.47501 3.90274 7.50074 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 3.90274 9.58747 8.62775 6.47501 9.33447 11.529 numMergedOcc 0
31 mol 266 unq 2 iso 0 dist 3.90274 7.50074 9.68248 6.47501 9.33447 7.01175 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 8.80418 7.81415 12.1217 10.8201 8.80555 17.3022 numMergedOcc 0
