0 mol 7 unq 0 iso 0 dist 7.88043 5.99972 7.25346 7.78327 10.6558 3.54153 12.2041 5.72491 11.2662 14.0084 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.93188 8.70827 9.75636 8.23075 4.21283 12.2271 12.3067 9.24958 9.12854 10.551 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.93188 8.70827 9.75636 4.7841 4.97191 12.6431 12.3067 9.24958 9.12854 14.1707 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.93188 6.73939 10.0715 8.23075 4.21283 12.2839 12.3067 9.24958 18.673 10.551 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 4.93188 6.73939 10.0715 4.7841 4.97191 6.22954 12.3067 9.24958 18.673 14.1707 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.81959 8.6653 6.61233 7.03372 6.32857 10.3493 10.6808 6.90155 7.92503 13.2158 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.16364 6.02816 9.03289 8.62079 12.6176 12.0718 8.07446 8.85586 12.4089 7.37171 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 8.80895 9.6795 5.92118 13.2572 9.15431 15.7676 17.4411 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 9.29384 8.70296 10.8127 8.80895 9.6795 5.92118 6.63273 6.92648 12.6227 12.9064 numMergedOcc 0
9 mol 131 unq 2 iso 0 dist 9.29384 9.25558 11.2516 8.80895 9.6795 10.2176 13.2572 9.15431 18.3571 17.4411 numMergedOcc 0
10 mol 131 unq 3 iso 0 dist 9.29384 9.25558 11.2516 8.80895 9.6795 10.2176 6.63273 6.92648 11.586 12.9064 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 9.52922 7.82899 3.7326 8.0179 8.12346 12.0009 11.2599 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 9.52922 7.82899 3.7326 14.6506 8.83356 12.645 14.7152 numMergedOcc 0
13 mol 194 unq 2 iso 0 dist 6.26839 8.65535 5.92931 9.52922 7.82899 3.7326 8.48054 8.2654 13.9101 14.7929 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 6.59544 11.5264 9.10355 10.7531 7.62942 9.26504 16.1245 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 6.60567 6.95086 6.74112 6.59544 11.5264 9.70528 10.7531 7.62942 14.0524 16.1245 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 8.10985 6.34616 9.86517 6.77156 13.3432 4.73496 11.6493 9.18635 16.2739 17.8926 numMergedOcc 0
17 mol 198 unq 1 iso 0 dist 8.10985 6.34616 9.86517 7.97894 12.4245 4.97547 11.6493 9.18635 16.2739 19.0958 numMergedOcc 0
18 mol 198 unq 2 iso 0 dist 8.10985 6.34616 9.86517 8.08471 5.45278 5.92533 11.6493 9.18635 16.2739 14.037 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 5.60393 5.44002 8.46033 7.13783 12.0319 4.76454 7.38516 8.44861 12.3113 13.3708 numMergedOcc 0
20 mol 240 unq 0 iso 0 dist 9.47583 6.68687 15.5587 5.77749 10.2659 7.06594 4.28414 8.44909 10.5594 9.30946 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 8.15467 7.6595 6.05037 7.12221 8.34189 4.97531 4.26007 9.1925 10.8994 9.60414 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 8.15467 7.6595 6.05037 5.4557 10.6472 7.26991 4.26007 9.1925 10.8994 9.62202 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 5.35705 5.78276 10.5492 5.74345 9.12395 11.3027 6.64378 numMergedOcc 0
