0 mol 26 unq 0 iso 0 dist 8.42581 5.11733 7.90721 6.79475 4.39827 8.96682 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.36424 5.31195 9.58596 9.72194 12.3532 4.58552 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.19733 6.96883 6.41793 8.98219 6.3982 5.27182 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 8.19733 9.56481 6.50101 8.98219 6.3982 9.12545 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 8.57165 13.0639 6.41793 14.1909 6.3982 5.27182 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 8.57165 9.32558 6.50101 14.1909 6.3982 9.12545 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.98797 6.43007 5.07125 10.3229 12.931 9.47401 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.85041 9.18194 5.71763 12.3562 7.92049 7.23305 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 7.20953 4.67929 7.44838 13.1083 9.94027 9.17843 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.82011 8.36589 5.43933 13.0406 10.4065 6.96745 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 6.42785 11.4437 6.5739 10.1252 6.76477 7.5573 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 6.42785 11.4437 6.5739 12.7543 8.57078 9.58633 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 7.88655 4.38322 8.612 10.55 6.78032 9.29944 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 5.98771 5.88866 8.25282 9.87734 7.323 7.86352 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.94153 5.93479 7.04815 9.67769 5.40422 5.67168 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 7.94153 5.86306 6.07389 12.8108 6.81727 8.36129 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 7.94153 5.86306 6.07389 9.67769 5.40422 5.86483 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 9.79691 10.5776 6.34234 18.1075 10.9712 8.22795 numMergedOcc 0
18 mol 195 unq 1 iso 0 dist 9.79691 4.18074 7.87972 9.32333 8.68163 6.396 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 7.39624 6.2381 8.21997 10.1796 6.28124 8.25329 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 7.29542 6.24324 7.8744 11.7254 6.05548 9.3502 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 7.29542 10.7885 4.98402 11.7254 6.05548 6.46405 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.20589 9.08701 5.28771 12.2075 7.3164 6.09335 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 7.89801 12.0749 5.28771 11.5426 7.3164 6.09335 numMergedOcc 0
24 mol 227 unq 2 iso 0 dist 7.1372 4.09934 9.43618 12.0306 14.9695 8.85955 numMergedOcc 0
25 mol 227 unq 3 iso 0 dist 7.1372 4.09934 9.43618 7.79951 11.2819 6.09335 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 9.31673 4.47008 9.11454 9.85304 10.0222 6.03081 numMergedOcc 0
27 mol 235 unq 1 iso 0 dist 9.31673 4.47008 9.11454 10.6744 6.89973 7.41433 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 7.61203 9.75095 6.53286 7.39547 8.5378 4.66186 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 9.47845 11.7938 6.53286 10.0287 8.5378 4.66186 numMergedOcc 0
30 mol 238 unq 2 iso 0 dist 6.92409 11.7709 6.53286 11.5628 8.5378 4.66186 numMergedOcc 0
31 mol 238 unq 3 iso 0 dist 6.89694 6.12722 6.53286 7.24334 8.5378 4.66186 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 9.42738 9.04569 7.14086 13.8261 5.82131 9.78237 numMergedOcc 0
33 mol 264 unq 1 iso 0 dist 9.42738 9.04569 7.14086 17.6905 10.0297 9.70101 numMergedOcc 0
34 mol 264 unq 2 iso 0 dist 9.42738 9.04569 7.14086 16.5669 9.58444 9.95798 numMergedOcc 0
35 mol 273 unq 0 iso 0 dist 6.94131 4.42663 5.4307 9.35749 6.87067 9.02537 numMergedOcc 0
36 mol 284 unq 0 iso 0 dist 8.27054 9.97692 9.07503 11.4133 5.69778 9.69019 numMergedOcc 0
