0 mol 48 unq 0 iso 0 dist 6.72531 8.05728 9.66389 8.572 3.44412 9.60669 11.3291 14.4979 7.99434 15.97 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.81747 8.61357 6.07398 4.90216 4.82623 9.95453 7.53537 9.34271 8.185 11.698 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 5.81747 8.61357 6.07398 9.84217 8.76577 5.6003 7.53537 9.34271 8.185 11.961 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 6.81975 8.61357 4.58297 4.90216 6.24283 9.95453 7.53537 10.3635 8.185 11.698 numMergedOcc 0
4 mol 59 unq 3 iso 0 dist 6.81975 8.61357 4.58297 9.84217 5.00893 5.6003 7.53537 10.3635 8.185 11.961 numMergedOcc 0
5 mol 123 unq 0 iso 0 dist 8.71274 8.56386 5.8424 8.30974 11.1908 13.0523 10.941 10.5825 8.40918 18.4177 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 9.16999 5.52891 5.88232 8.94636 4.96315 3.75302 4.58529 12.2873 9.64136 12.5142 numMergedOcc 0
7 mol 163 unq 0 iso 0 dist 7.5447 6.89529 12.8414 9.37245 15.4278 4.09125 5.5479 11.461 9.69093 12.1476 numMergedOcc 0
8 mol 163 unq 1 iso 0 dist 9.04757 6.89529 13.739 9.37245 13.5948 4.09125 5.5479 11.42 9.69093 12.1476 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 8.15747 9.15795 14.2931 7.16035 13.3248 7.09962 6.58331 13.9507 7.80268 8.90812 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 8.15747 9.15795 14.2931 6.2675 9.03854 10.5443 6.58331 13.9507 7.80268 11.6584 numMergedOcc 0
11 mol 183 unq 2 iso 0 dist 8.74903 8.72128 14.2931 9.61725 13.3248 7.09962 5.46887 13.9507 7.80268 8.90812 numMergedOcc 0
12 mol 183 unq 3 iso 0 dist 8.74903 8.72128 14.2931 9.52042 9.03854 10.5443 5.46887 13.9507 7.80268 11.6584 numMergedOcc 0
13 mol 183 unq 4 iso 0 dist 5.44125 9.15795 6.11741 7.16035 3.4049 7.09962 6.58331 5.50896 7.80268 8.90812 numMergedOcc 0
14 mol 183 unq 5 iso 0 dist 5.44125 9.15795 6.11741 6.2675 7.30851 10.5443 6.58331 5.50896 7.80268 11.6584 numMergedOcc 0
15 mol 183 unq 6 iso 0 dist 7.11505 8.72128 6.11741 9.61725 3.4049 7.09962 5.46887 5.50896 7.80268 8.90812 numMergedOcc 0
16 mol 183 unq 7 iso 0 dist 7.11505 8.72128 6.11741 9.52042 7.30851 10.5443 5.46887 5.50896 7.80268 11.6584 numMergedOcc 0
17 mol 185 unq 0 iso 0 dist 9.56016 8.2968 8.77077 9.1549 8.58853 5.55352 5.80135 8.07469 9.61525 12.1031 numMergedOcc 0
18 mol 185 unq 1 iso 0 dist 7.92501 8.2968 10.4047 9.1549 6.49781 5.55352 5.80135 12.7168 9.61525 12.1031 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 9.06304 8.20598 4.69192 7.40498 8.15592 5.02086 3.4982 10.4612 8.2484 7.83831 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 8.12306 5.76796 6.37482 6.73396 5.00843 4.57431 10.1123 5.28731 7.08681 8.80238 numMergedOcc 0
21 mol 285 unq 1 iso 0 dist 8.12306 5.76796 6.37482 6.73396 5.00843 4.57431 7.01472 10.1649 4.95596 5.88958 numMergedOcc 0
22 mol 285 unq 2 iso 0 dist 8.12306 5.76796 6.37482 6.73396 5.00843 4.57431 11.0045 11.3128 6.3508 7.78121 numMergedOcc 0
23 mol 285 unq 3 iso 0 dist 8.12306 5.76796 6.37482 6.73396 5.00843 4.57431 8.2602 14.2549 8.3005 11.6117 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 9.39409 6.76192 5.66584 9.40443 13.6065 13.2202 11.7613 6.16127 9.31611 17.9398 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 9.39409 6.76192 5.66584 9.40443 13.6065 13.2202 11.7613 6.16127 9.31611 17.9398 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 9.39409 6.76192 5.66584 9.40443 13.6065 13.2202 11.7613 6.16127 9.31611 17.9398 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 8.89372 8.55037 8.19972 7.48987 11.5334 13.8815 3.83842 12.0796 9.49562 10.4035 numMergedOcc 0
28 mol 294 unq 1 iso 0 dist 8.89372 8.55037 8.19972 8.35637 5.98695 12.3727 3.83842 12.0796 9.49562 11.5203 numMergedOcc 0
29 mol 294 unq 2 iso 0 dist 8.89372 5.71656 10.8049 7.48987 11.5334 5.13965 3.83842 12.0796 8.32582 10.4035 numMergedOcc 0
30 mol 294 unq 3 iso 0 dist 8.89372 5.71656 10.8049 8.35637 5.98695 7.32602 3.83842 12.0796 8.32582 11.5203 numMergedOcc 0
