0 mol 43 unq 0 iso 0 dist 8.25984 5.71377 8.25915 8.02578 9.81007 9.30704 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.25984 8.02578 9.81007 5.71377 8.25915 9.30704 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.04551 15.0431 9.54119 4.92775 7.87476 14.4066 numMergedOcc 0
3 mol 48 unq 0 iso 1 dist 6.04551 4.92775 7.87476 15.0431 9.54119 14.4066 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.01454 15.1442 9.77004 4.89976 8.36323 14.9999 numMergedOcc 0
5 mol 48 unq 1 iso 1 dist 6.01454 4.89976 8.36323 15.1442 9.77004 14.9999 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 9.30367 13.0917 9.07741 8.70959 8.0388 5.43051 numMergedOcc 0
7 mol 55 unq 0 iso 1 dist 9.30367 8.70959 8.0388 13.0917 9.07741 5.43051 numMergedOcc 0
8 mol 55 unq 1 iso 0 dist 9.30367 13.0917 9.07741 16.3846 9.7883 4.78168 numMergedOcc 0
9 mol 55 unq 1 iso 1 dist 9.30367 16.3846 9.7883 13.0917 9.07741 4.78168 numMergedOcc 0
10 mol 55 unq 1 iso 0 dist 9.30367 8.70959 8.0388 16.3846 9.7883 8.93213 numMergedOcc 0
11 mol 55 unq 1 iso 1 dist 9.30367 16.3846 9.7883 8.70959 8.0388 8.93213 numMergedOcc 0
12 mol 55 unq 2 iso 0 dist 6.67079 8.02914 9.07741 10.9066 8.0388 5.43051 numMergedOcc 0
13 mol 55 unq 2 iso 1 dist 6.67079 10.9066 8.0388 8.02914 9.07741 5.43051 numMergedOcc 0
14 mol 55 unq 3 iso 0 dist 6.67079 8.02914 9.07741 6.53022 9.7883 4.78168 numMergedOcc 0
15 mol 55 unq 3 iso 1 dist 6.67079 6.53022 9.7883 8.02914 9.07741 4.78168 numMergedOcc 0
16 mol 55 unq 3 iso 0 dist 6.67079 10.9066 8.0388 6.53022 9.7883 8.93213 numMergedOcc 0
17 mol 55 unq 3 iso 1 dist 6.67079 6.53022 9.7883 10.9066 8.0388 8.93213 numMergedOcc 0
18 mol 68 unq 0 iso 0 dist 7.19203 6.31365 6.7739 5.08329 8.3318 3.20411 numMergedOcc 0
19 mol 68 unq 0 iso 1 dist 7.19203 5.08329 8.3318 6.31365 6.7739 3.20411 numMergedOcc 0
20 mol 68 unq 1 iso 0 dist 8.8095 5.74636 6.7739 8.30034 8.3318 3.20411 numMergedOcc 0
21 mol 68 unq 1 iso 1 dist 8.8095 8.30034 8.3318 5.74636 6.7739 3.20411 numMergedOcc 0
22 mol 83 unq 0 iso 0 dist 7.37989 13.8604 9.55089 8.71052 7.22942 5.72008 numMergedOcc 0
23 mol 83 unq 0 iso 1 dist 7.37989 8.71052 7.22942 13.8604 9.55089 5.72008 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 8.56593 9.65579 7.53168 5.93647 5.18805 10.7858 numMergedOcc 0
25 mol 141 unq 0 iso 1 dist 8.56593 5.93647 5.18805 9.65579 7.53168 10.7858 numMergedOcc 0
26 mol 141 unq 1 iso 0 dist 8.56593 9.65579 7.53168 8.51016 7.11158 13.6003 numMergedOcc 0
27 mol 141 unq 1 iso 1 dist 8.56593 8.51016 7.11158 9.65579 7.53168 13.6003 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 8.56593 5.93647 5.18805 8.51016 7.11158 3.02458 numMergedOcc 0
29 mol 141 unq 1 iso 1 dist 8.56593 8.51016 7.11158 5.93647 5.18805 3.02458 numMergedOcc 0
30 mol 165 unq 0 iso 0 dist 8.2197 4.89071 5.03758 6.22764 4.63353 4.90692 numMergedOcc 0
31 mol 165 unq 0 iso 1 dist 8.2197 6.22764 4.63353 4.89071 5.03758 4.90692 numMergedOcc 0
32 mol 183 unq 0 iso 0 dist 6.21267 10.0862 8.58178 8.68367 4.77438 4.68134 numMergedOcc 0
33 mol 183 unq 0 iso 1 dist 6.21267 8.68367 4.77438 10.0862 8.58178 4.68134 numMergedOcc 0
34 mol 183 unq 1 iso 0 dist 6.21267 10.0862 8.58178 8.36315 5.73344 9.71185 numMergedOcc 0
35 mol 183 unq 1 iso 1 dist 6.21267 8.36315 5.73344 10.0862 8.58178 9.71185 numMergedOcc 0
36 mol 183 unq 1 iso 0 dist 6.21267 8.68367 4.77438 8.36315 5.73344 5.97875 numMergedOcc 0
37 mol 183 unq 1 iso 1 dist 6.21267 8.36315 5.73344 8.68367 4.77438 5.97875 numMergedOcc 0
38 mol 183 unq 2 iso 0 dist 7.41743 10.0647 8.58178 7.5521 4.77438 4.68134 numMergedOcc 0
39 mol 183 unq 2 iso 1 dist 7.41743 7.5521 4.77438 10.0647 8.58178 4.68134 numMergedOcc 0
40 mol 183 unq 3 iso 0 dist 7.41743 10.0647 8.58178 3.17225 5.73344 9.71185 numMergedOcc 0
41 mol 183 unq 3 iso 1 dist 7.41743 3.17225 5.73344 10.0647 8.58178 9.71185 numMergedOcc 0
42 mol 183 unq 3 iso 0 dist 7.41743 7.5521 4.77438 3.17225 5.73344 5.97875 numMergedOcc 0
43 mol 183 unq 3 iso 1 dist 7.41743 3.17225 5.73344 7.5521 4.77438 5.97875 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 9.89311 12.3846 9.88692 6.06509 9.38368 9.77326 numMergedOcc 0
45 mol 205 unq 0 iso 1 dist 9.89311 6.06509 9.38368 12.3846 9.88692 9.77326 numMergedOcc 0
46 mol 283 unq 0 iso 0 dist 9.84011 8.19595 9.14721 7.37483 7.15322 2.9452 numMergedOcc 0
47 mol 283 unq 0 iso 1 dist 9.84011 7.37483 7.15322 8.19595 9.14721 2.9452 numMergedOcc 0
