0 mol 46 unq 0 iso 0 dist 8.99557 11.6888 9.14996 15.9669 9.31292 11.5601 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 8.99557 5.79552 9.47718 15.9669 9.31292 14.7198 numMergedOcc 0
2 mol 46 unq 2 iso 0 dist 8.99557 14.6072 8.9459 15.9669 9.31292 8.27204 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.05165 6.5214 6.72531 6.39142 8.05728 9.66389 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 7.20455 8.86573 9.66898 11.1328 8.55004 4.9987 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 6.47588 5.94178 8.27455 6.31644 6.64564 6.98616 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 7.923 5.17317 8.36326 9.76143 9.02302 7.01145 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 8.54807 12.9313 8.36326 7.79077 9.02302 7.01145 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 7.40347 4.22914 8.883 12.705 9.00166 16.0548 numMergedOcc 0
9 mol 132 unq 1 iso 0 dist 7.40347 4.22914 8.883 7.22819 7.16287 7.68244 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.75007 9.11409 8.64946 6.92975 9.96416 12.9286 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 8.75007 9.11409 8.64946 6.53637 7.17051 5.57746 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 8.75007 9.11409 8.64946 11.1722 5.9962 9.5993 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 9.36038 12.1164 7.5447 16.8942 8.66172 8.52732 numMergedOcc 0
14 mol 163 unq 1 iso 0 dist 9.36038 12.1164 7.5447 8.85389 6.89529 12.8414 numMergedOcc 0
15 mol 163 unq 2 iso 0 dist 9.36038 18.4036 9.04757 16.8942 8.66172 5.84005 numMergedOcc 0
16 mol 163 unq 3 iso 0 dist 9.36038 18.4036 9.04757 8.85389 6.89529 13.739 numMergedOcc 0
17 mol 187 unq 0 iso 0 dist 5.95841 8.44179 7.81168 9.38569 5.82577 8.91643 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 9.99509 7.76882 9.5523 4.07548 8.94864 9.44575 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 6.99667 7.73947 8.80167 9.75439 7.1951 5.31666 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 6.22499 12.5418 8.80167 10.9516 7.1951 5.31666 numMergedOcc 0
