0 mol 46 unq 0 iso 0 dist 7.39124 5.10234 6.03151 5.55112 9.9787 7.18614 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 9.79797 13.4946 8.47223 9.50457 9.12226 5.96531 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 9.79797 13.6638 9.75277 9.50457 9.12226 6.21576 numMergedOcc 0
3 mol 52 unq 2 iso 0 dist 9.79797 9.76622 8.01537 9.50457 9.12226 7.32157 numMergedOcc 0
4 mol 52 unq 3 iso 0 dist 9.46119 12.2695 8.47223 10.4754 9.12226 5.96531 numMergedOcc 0
5 mol 52 unq 4 iso 0 dist 9.46119 15.3847 9.75277 10.4754 9.12226 6.21576 numMergedOcc 0
6 mol 52 unq 5 iso 0 dist 9.46119 13.0792 8.01537 10.4754 9.12226 7.32157 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 6.86162 7.07654 5.62688 6.60662 9.2898 5.02731 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.85892 9.06035 9.47628 11.4473 8.72682 7.43704 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 5.65006 12.5798 9.78762 5.27863 8.23026 10.2292 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 5.15951 5.24487 5.58623 7.41993 7.86666 5.25186 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 5.15951 5.24487 5.58623 13.345 9.77497 13.5568 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.25027 6.30204 4.79003 4.28997 7.22643 7.33132 numMergedOcc 0
13 mol 142 unq 0 iso 0 dist 9.64785 6.71726 5.90339 12.444 7.81207 8.68855 numMergedOcc 0
14 mol 142 unq 1 iso 0 dist 9.64785 6.71726 5.90339 7.18287 6.14151 5.50176 numMergedOcc 0
15 mol 144 unq 0 iso 0 dist 8.85737 12.615 6.03283 7.12825 7.64028 10.6591 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.09756 3.77738 7.12029 5.01462 8.90571 6.94867 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 5.09756 3.77738 7.12029 6.15341 6.61112 5.77884 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 8.18482 14.2537 9.85404 5.11128 9.31526 16.7848 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 7.79613 8.7985 8.51427 5.02064 5.56538 5.60111 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 8.55819 7.9527 5.31916 5.30529 6.99769 8.98459 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 8.55819 7.9527 5.31916 10.5504 8.79428 9.81806 numMergedOcc 0
22 mol 224 unq 2 iso 0 dist 8.55819 7.9527 5.31916 12.7033 6.8692 5.99647 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 6.02146 6.0421 5.54003 11.8651 8.67156 7.95216 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 6.93417 8.37146 6.95658 9.13047 9.07743 5.20592 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 6.93417 8.37146 6.95658 5.07898 7.66153 6.80302 numMergedOcc 0
