0 mol 48 unq 0 iso 0 dist 8.05728 8.572 9.60669 11.3291 7.99434 15.97 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.61357 4.90216 9.95453 7.53537 8.185 11.698 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 8.61357 9.84217 5.6003 7.53537 8.185 11.961 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 9.65672 6.35779 7.31044 10.6356 7.61377 12.5231 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.73908 5.57551 5.08181 7.27578 5.26566 7.7485 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 5.73908 5.57551 5.08181 5.66182 6.27118 9.48425 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 7.21809 9.56859 4.08651 3.65947 9.38568 10.614 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 5.69055 5.75135 4.08651 9.48385 9.38568 10.614 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 8.56386 8.30974 13.0523 10.941 8.40918 18.4177 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 5.52891 8.94636 3.75302 4.58529 9.64136 12.5142 numMergedOcc 0
10 mol 151 unq 0 iso 0 dist 5.62891 6.12972 4.5975 3.96406 9.00461 9.37533 numMergedOcc 0
11 mol 163 unq 0 iso 0 dist 6.89529 9.37245 4.09125 5.5479 9.69093 12.1476 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 9.15795 7.16035 7.09962 6.58331 7.80268 8.90812 numMergedOcc 0
13 mol 183 unq 1 iso 0 dist 9.15795 6.2675 10.5443 6.58331 7.80268 11.6584 numMergedOcc 0
14 mol 183 unq 2 iso 0 dist 8.72128 9.61725 7.09962 5.46887 7.80268 8.90812 numMergedOcc 0
15 mol 183 unq 3 iso 0 dist 8.72128 9.52042 10.5443 5.46887 7.80268 11.6584 numMergedOcc 0
16 mol 185 unq 0 iso 0 dist 8.2968 9.1549 5.55352 5.80135 9.61525 12.1031 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 8.40718 8.29256 13.1706 16.6893 8.77524 21.8584 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 8.40718 7.8274 5.79978 16.6893 8.77524 13.8543 numMergedOcc 0
19 mol 217 unq 0 iso 0 dist 8.72578 8.99517 12.1223 8.03625 7.94351 15.7102 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 8.20598 7.40498 5.02086 3.4982 8.2484 7.83831 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 9.46746 8.77675 9.00563 3.78294 9.48672 11.832 numMergedOcc 0
22 mol 268 unq 0 iso 0 dist 8.43164 8.6577 5.39453 3.43113 7.40323 9.52476 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 6.70414 5.11998 5.11865 7.31817 4.1545 7.98956 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 6.70414 5.11998 5.11865 3.91224 4.25172 5.86185 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 6.70414 5.79925 8.46455 7.31817 4.1545 11.2004 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 6.70414 5.79925 8.46455 3.91224 4.25172 8.41856 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 5.76796 6.73396 4.57431 10.1123 7.08681 8.80238 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 5.76796 6.73396 4.57431 7.01472 4.95596 5.88958 numMergedOcc 0
29 mol 285 unq 2 iso 0 dist 5.76796 6.73396 4.57431 11.0045 6.3508 7.78121 numMergedOcc 0
30 mol 285 unq 3 iso 0 dist 5.76796 6.73396 4.57431 8.2602 8.3005 11.6117 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 6.76192 9.40443 13.2202 11.7613 9.31611 17.9398 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 6.76192 9.40443 13.2202 11.7613 9.31611 17.9398 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 6.76192 9.40443 13.2202 11.7613 9.31611 17.9398 numMergedOcc 0
34 mol 294 unq 0 iso 0 dist 8.55037 7.48987 13.8815 3.83842 9.49562 10.4035 numMergedOcc 0
35 mol 294 unq 1 iso 0 dist 8.55037 8.35637 12.3727 3.83842 9.49562 11.5203 numMergedOcc 0
36 mol 294 unq 2 iso 0 dist 5.71656 7.48987 5.13965 3.83842 8.32582 10.4035 numMergedOcc 0
37 mol 294 unq 3 iso 0 dist 5.71656 8.35637 7.32602 3.83842 8.32582 11.5203 numMergedOcc 0
