0 mol 48 unq 0 iso 0 dist 6.72531 8.05728 9.66389 9.57046 13.5738 9.40644 11.3291 14.4979 7.99434 3.85292 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.72531 8.05728 9.66389 4.91237 9.04514 5.35252 11.3291 14.4979 7.99434 6.44604 numMergedOcc 0
2 mol 127 unq 0 iso 0 dist 9.16999 5.52891 5.88232 6.87376 10.7696 5.83719 4.58529 12.2873 9.64136 11.1718 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 9.0455 7.13958 5.0466 4.74644 6.65878 7.6453 3.54691 7.84813 4.4077 6.61102 numMergedOcc 0
4 mol 129 unq 1 iso 0 dist 9.0455 7.13958 5.0466 4.74644 6.65878 7.6453 5.56761 12.1544 8.4874 9.0678 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 8.64946 9.96416 12.9286 5.9683 11.9103 5.79195 8.87194 14.6084 9.35049 4.63862 numMergedOcc 0
6 mol 192 unq 0 iso 0 dist 9.80584 8.86627 4.65303 8.61606 5.21088 7.36571 9.70184 5.05414 5.03588 3.9335 numMergedOcc 0
7 mol 192 unq 1 iso 0 dist 9.80584 8.86627 4.65303 4.25327 12.3136 9.80122 9.70184 5.05414 5.03588 10.9472 numMergedOcc 0
8 mol 192 unq 2 iso 0 dist 9.80584 8.86627 4.65303 4.97164 8.25609 9.17137 9.70184 5.05414 5.03588 10.6087 numMergedOcc 0
9 mol 192 unq 3 iso 0 dist 7.95713 9.10569 4.65303 5.41356 5.21088 7.36571 8.12818 5.05414 5.03588 3.9335 numMergedOcc 0
10 mol 192 unq 4 iso 0 dist 7.95713 9.10569 4.65303 8.1874 12.3136 9.80122 8.12818 5.05414 5.03588 10.9472 numMergedOcc 0
11 mol 192 unq 5 iso 0 dist 7.95713 9.10569 4.65303 4.87986 8.25609 9.17137 8.12818 5.05414 5.03588 10.6087 numMergedOcc 0
12 mol 246 unq 0 iso 0 dist 4.82671 7.63397 9.48524 6.06278 10.3312 8.16617 8.86898 13.526 9.03834 4.48822 numMergedOcc 0
13 mol 285 unq 0 iso 0 dist 8.12306 5.76796 6.37482 11.2606 13.5396 7.872 10.1123 5.28731 7.08681 11.2722 numMergedOcc 0
14 mol 285 unq 1 iso 0 dist 8.12306 5.76796 6.37482 11.2606 13.5396 7.872 7.01472 10.1649 4.95596 9.22192 numMergedOcc 0
15 mol 285 unq 2 iso 0 dist 8.12306 5.76796 6.37482 11.2606 13.5396 7.872 11.0045 11.3128 6.3508 8.37376 numMergedOcc 0
16 mol 285 unq 3 iso 0 dist 8.12306 5.76796 6.37482 11.2606 13.5396 7.872 8.2602 14.2549 8.3005 6.76283 numMergedOcc 0
17 mol 285 unq 4 iso 0 dist 8.12306 5.76796 6.37482 8.7778 7.38536 6.32984 10.1123 5.28731 7.08681 3.57803 numMergedOcc 0
18 mol 285 unq 5 iso 0 dist 8.12306 5.76796 6.37482 8.7778 7.38536 6.32984 7.01472 10.1649 4.95596 11.1099 numMergedOcc 0
19 mol 285 unq 6 iso 0 dist 8.12306 5.76796 6.37482 8.7778 7.38536 6.32984 11.0045 11.3128 6.3508 11.5761 numMergedOcc 0
20 mol 285 unq 7 iso 0 dist 8.12306 5.76796 6.37482 8.7778 7.38536 6.32984 8.2602 14.2549 8.3005 11.5053 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 11.7613 6.16127 9.31611 5.03775 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 11.7613 6.16127 9.31611 8.95194 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 11.7613 6.16127 9.31611 5.03775 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 11.7613 6.16127 9.31611 8.95194 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 11.7613 6.16127 9.31611 5.03775 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 11.7613 6.16127 9.31611 8.95194 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 8.89372 5.71656 10.8049 8.43044 16.8417 9.22572 3.83842 12.0796 8.32582 7.55679 numMergedOcc 0
