0 mol 43 unq 0 iso 0 dist 8.03754 6.57633 8.6477 14.0204 8.80331 17.0655 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.03754 6.57633 8.6477 13.1056 6.20293 12.9128 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.41049 9.79061 15.6317 4.60412 5.93252 10.9476 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 7.9258 7.84768 4.48636 10.9791 9.33865 13.4105 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 7.9258 7.84768 4.48636 4.75197 5.83991 7.69765 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 8.41774 7.94976 7.68889 13.1435 8.56324 15.817 numMergedOcc 0
6 mol 152 unq 1 iso 0 dist 8.41774 7.94976 7.68889 13.793 6.70283 12.3868 numMergedOcc 0
7 mol 152 unq 2 iso 0 dist 8.41774 7.94976 7.68889 11.2124 7.16148 9.37904 numMergedOcc 0
8 mol 170 unq 0 iso 0 dist 9.32245 9.66676 4.78249 6.45787 9.76807 9.51256 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 7.7544 5.97971 5.71898 10.8374 7.81386 9.01624 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 6.23932 9.79826 8.97813 13.4557 9.61492 15.255 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 6.23932 9.79826 8.97813 4.37383 7.45763 8.95122 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 8.80858 7.71863 16.3431 4.46743 6.65832 11.6293 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 8.80858 7.71863 16.3431 4.93626 6.60589 11.2517 numMergedOcc 0
14 mol 224 unq 2 iso 0 dist 8.80858 7.71863 16.3431 11.8641 9.16166 18.2411 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 8.27093 9.34023 4.664 10.9396 7.22101 11.595 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 8.27093 9.34023 4.664 10.9533 7.09863 10.1802 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 8.27093 5.77762 4.1511 10.9396 7.22101 9.91384 numMergedOcc 0
18 mol 227 unq 3 iso 0 dist 8.27093 5.77762 4.1511 10.9533 7.09863 10.3016 numMergedOcc 0
19 mol 227 unq 4 iso 0 dist 9.02226 9.34023 8.49509 10.9396 8.65997 11.595 numMergedOcc 0
20 mol 227 unq 5 iso 0 dist 9.02226 5.77762 4.69247 10.9396 8.65997 9.91384 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 8.83023 9.60329 4.92403 9.15968 7.03423 10.3243 numMergedOcc 0
22 mol 229 unq 1 iso 0 dist 8.83023 9.60329 4.92403 10.6678 9.06952 13.7137 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 5.90804 8.75172 10.5937 13.6195 9.99038 19.0739 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 5.90804 8.75172 10.5937 7.45579 6.27581 15.106 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 4.80834 5.52788 7.06793 7.04671 5.72887 9.72188 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 4.81916 6.42951 3.97543 7.94155 9.7748 12.1398 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 9.24472 8.30375 8.4236 13.0364 9.70696 11.6372 numMergedOcc 0
