0 mol 33 unq 0 iso 0 dist 8.5865 4.33242 6.42569 13.5924 8.32902 9.3686 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 8.5865 7.39517 9.13872 13.5924 8.32902 8.49894 numMergedOcc 0
2 mol 33 unq 2 iso 0 dist 8.5865 8.75964 7.27307 13.5924 8.32902 5.75951 numMergedOcc 0
3 mol 33 unq 3 iso 0 dist 8.5865 12.4737 5.73206 13.5924 8.32902 3.82391 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.54999 12.4431 9.76585 9.81268 6.57633 4.89928 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 7.85826 14.9118 9.82294 4.08338 7.11238 14.2658 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 9.90769 10.6504 6.77845 9.63903 7.93119 11.6894 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 9.90769 10.6504 6.77845 14.347 5.25361 6.51558 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 9.90769 6.65429 5.48555 9.63903 7.93119 10.6214 numMergedOcc 0
9 mol 83 unq 3 iso 0 dist 9.90769 6.65429 5.48555 14.347 5.25361 9.07479 numMergedOcc 0
10 mol 83 unq 4 iso 0 dist 9.90769 9.4696 5.39805 9.63903 7.93119 6.23042 numMergedOcc 0
11 mol 83 unq 5 iso 0 dist 9.90769 9.4696 5.39805 14.347 5.25361 7.0157 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 5.62903 4.32161 5.81553 4.03471 6.6536 3.82552 numMergedOcc 0
13 mol 157 unq 0 iso 0 dist 9.46764 13.6517 8.78412 6.17631 6.07906 12.5289 numMergedOcc 0
14 mol 157 unq 1 iso 0 dist 9.46764 13.6517 8.78412 3.80096 8.72717 11.4935 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 6.33118 3.39334 8.80952 3.51425 7.68074 6.34731 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 6.33118 3.39334 8.80952 11.7855 9.1854 15.1374 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 5.77947 8.12353 8.12934 4.48277 7.03532 7.79226 numMergedOcc 0
18 mol 247 unq 0 iso 0 dist 9.1947 7.07563 9.23297 5.13431 9.39619 5.92277 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 9.87771 15.2458 9.16172 8.68671 8.49945 9.53624 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 9.87771 15.2458 9.16172 12.2817 9.68415 5.02324 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 8.57375 5.70683 5.90728 8.21071 5.32876 5.14231 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 8.57375 5.70683 5.90728 6.36596 7.60296 4.25884 numMergedOcc 0
