0 mol 41 unq 0 iso 0 dist 9.59131 6.51139 13.4526 10.8697 17.813 6.75602 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.72531 9.04514 4.91237 9.66389 8.05728 5.35252 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.74131 5.55798 4.20398 7.95422 11.3357 8.61089 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 7.74131 5.55798 4.20398 6.05149 11.1999 8.64686 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 9.57953 8.75165 10.4989 7.3651 6.36357 6.79959 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.53731 8.79677 6.76815 11.5575 11.8574 6.54778 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 8.53731 8.79677 6.76815 4.66388 10.3738 8.57909 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 9.0455 6.65878 4.74644 5.0466 7.13958 7.6453 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.12336 9.73038 4.98521 17.9749 13.5394 8.8353 numMergedOcc 0
9 mol 139 unq 0 iso 0 dist 8.49892 9.71665 4.19005 5.61614 10.5546 9.70154 numMergedOcc 0
10 mol 139 unq 1 iso 0 dist 8.49892 9.71665 4.19005 4.94393 5.77343 8.78382 numMergedOcc 0
11 mol 183 unq 0 iso 0 dist 8.68085 7.99897 8.26824 4.0252 10.8849 8.29364 numMergedOcc 0
12 mol 183 unq 1 iso 0 dist 8.15747 7.58913 8.4495 5.66126 12.4307 8.29364 numMergedOcc 0
13 mol 183 unq 2 iso 0 dist 8.15747 6.0782 3.94874 5.66126 12.4307 8.97652 numMergedOcc 0
14 mol 183 unq 3 iso 0 dist 8.74903 7.58913 5.86369 5.66126 12.1873 8.29364 numMergedOcc 0
15 mol 183 unq 4 iso 0 dist 8.74903 6.0782 4.44329 5.66126 12.1873 8.97652 numMergedOcc 0
16 mol 187 unq 0 iso 0 dist 7.81168 7.87608 4.75665 8.91643 5.82577 8.0501 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.80584 5.21088 8.61606 4.65303 8.86627 7.36571 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 9.80584 9.78743 19.1942 13.2525 22.8677 6.2016 numMergedOcc 0
19 mol 192 unq 2 iso 0 dist 9.80584 8.25609 4.97164 4.65303 8.86627 9.17137 numMergedOcc 0
20 mol 192 unq 3 iso 0 dist 7.95713 5.21088 5.41356 4.65303 9.10569 7.36571 numMergedOcc 0
21 mol 192 unq 4 iso 0 dist 7.95713 9.78743 16.5293 13.2525 19.9817 6.2016 numMergedOcc 0
22 mol 192 unq 5 iso 0 dist 7.95713 8.25609 4.87986 4.65303 9.10569 9.17137 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 8.97651 9.35664 11.0735 10.612 16.4613 7.2833 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 7.74693 8.01777 13.8942 12.4724 18.76 6.9103 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 5.86679 9.58608 9.76752 14.2074 16.9062 8.78924 numMergedOcc 0
26 mol 243 unq 1 iso 0 dist 5.86679 9.58608 9.76752 5.80426 10.0366 7.70472 numMergedOcc 0
27 mol 243 unq 2 iso 0 dist 8.28347 9.58608 4.73439 14.2074 13.2923 8.78924 numMergedOcc 0
28 mol 243 unq 3 iso 0 dist 8.28347 9.58608 4.73439 5.80426 7.93817 7.70472 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 9.64278 8.17026 11.7692 6.30651 14.0918 5.53369 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 9.64278 8.43002 12.4784 6.30651 14.0918 8.57274 numMergedOcc 0
31 mol 285 unq 0 iso 0 dist 8.12306 7.38536 8.7778 6.37482 5.76796 6.32984 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 9.39409 6.19545 12.2952 5.27724 14.3463 5.15923 numMergedOcc 0
33 mol 287 unq 1 iso 0 dist 9.39409 7.3388 8.37461 5.66584 6.76192 6.96774 numMergedOcc 0
34 mol 287 unq 2 iso 0 dist 9.39409 6.96248 4.03583 5.66584 6.76192 7.14859 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 9.39409 6.19545 12.2952 5.27724 14.3463 5.15923 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 9.39409 7.3388 8.37461 5.66584 6.76192 6.96774 numMergedOcc 0
37 mol 288 unq 2 iso 0 dist 9.39409 6.96248 4.03583 5.66584 6.76192 7.14859 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 9.39409 6.19545 12.2952 5.27724 14.3463 5.15923 numMergedOcc 0
39 mol 289 unq 1 iso 0 dist 9.39409 7.3388 8.37461 5.66584 6.76192 6.96774 numMergedOcc 0
40 mol 289 unq 2 iso 0 dist 9.39409 6.96248 4.03583 5.66584 6.76192 7.14859 numMergedOcc 0
