0 mol 43 unq 0 iso 0 dist 9.36759 8.04035 5.0553 14.6904 9.07906 11.8429 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 5.0553 8.04035 9.36759 11.8429 9.07906 14.6904 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.36759 8.04035 5.0553 12.0121 8.75567 5.8542 numMergedOcc 0
3 mol 43 unq 1 iso 1 dist 5.0553 8.04035 9.36759 5.8542 8.75567 12.0121 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 9.00799 16.0295 9.86879 11.5252 9.61935 14.6669 numMergedOcc 0
5 mol 91 unq 0 iso 1 dist 9.86879 16.0295 9.00799 14.6669 9.61935 11.5252 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 9.00799 11.4334 7.3937 11.5252 9.61935 10.1552 numMergedOcc 0
7 mol 91 unq 1 iso 1 dist 7.3937 11.4334 9.00799 10.1552 9.61935 11.5252 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 9.86879 5.61055 7.3937 14.6669 9.61935 10.1552 numMergedOcc 0
9 mol 91 unq 1 iso 1 dist 7.3937 5.61055 9.86879 10.1552 9.61935 14.6669 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 7.82186 10.7404 5.85006 5.74096 8.5457 11.8343 numMergedOcc 0
11 mol 120 unq 0 iso 1 dist 5.85006 10.7404 7.82186 11.8343 8.5457 5.74096 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 7.82186 10.7404 5.85006 8.58414 6.7928 8.40633 numMergedOcc 0
13 mol 120 unq 1 iso 1 dist 5.85006 10.7404 7.82186 8.40633 6.7928 8.58414 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 7.82186 10.7404 5.85006 12.5923 7.59189 6.60352 numMergedOcc 0
15 mol 120 unq 2 iso 1 dist 5.85006 10.7404 7.82186 6.60352 7.59189 12.5923 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.87656 8.13293 5.35463 14.7987 8.86966 11.7248 numMergedOcc 0
17 mol 152 unq 0 iso 1 dist 5.35463 8.13293 9.87656 11.7248 8.86966 14.7987 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 9.87656 8.13293 5.35463 10.8051 5.7527 6.4987 numMergedOcc 0
19 mol 152 unq 1 iso 1 dist 5.35463 8.13293 9.87656 6.4987 5.7527 10.8051 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 7.80955 10.9385 6.66396 8.36842 9.48488 7.13269 numMergedOcc 0
21 mol 162 unq 0 iso 1 dist 6.66396 10.9385 7.80955 7.13269 9.48488 8.36842 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 5.84716 5.95728 5.88987 7.82249 9.37545 5.47219 numMergedOcc 0
23 mol 186 unq 0 iso 1 dist 5.88987 5.95728 5.84716 5.47219 9.37545 7.82249 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 5.84716 5.95728 5.88987 9.09826 6.02579 6.51869 numMergedOcc 0
25 mol 186 unq 1 iso 1 dist 5.88987 5.95728 5.84716 6.51869 6.02579 9.09826 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.49617 13.9134 9.15508 13.7273 7.23959 4.25942 numMergedOcc 0
27 mol 205 unq 0 iso 1 dist 9.15508 13.9134 9.49617 4.25942 7.23959 13.7273 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 8.86708 10.8241 5.86875 7.52343 5.62219 8.99603 numMergedOcc 0
29 mol 210 unq 0 iso 1 dist 5.86875 10.8241 8.86708 8.99603 5.62219 7.52343 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 7.43688 10.9243 5.50716 5.70085 9.57009 11.7956 numMergedOcc 0
31 mol 243 unq 0 iso 1 dist 5.50716 10.9243 7.43688 11.7956 9.57009 5.70085 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 8.46598 10.5916 7.17822 8.91606 8.13183 7.99403 numMergedOcc 0
33 mol 258 unq 0 iso 1 dist 7.17822 10.5916 8.46598 7.99403 8.13183 8.91606 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 8.46598 10.5916 7.17822 12.2458 6.78929 6.51074 numMergedOcc 0
35 mol 258 unq 1 iso 1 dist 7.17822 10.5916 8.46598 6.51074 6.78929 12.2458 numMergedOcc 0
36 mol 261 unq 0 iso 0 dist 7.01147 9.43742 8.69549 13.3285 9.00426 15.0037 numMergedOcc 0
37 mol 261 unq 0 iso 1 dist 8.69549 9.43742 7.01147 15.0037 9.00426 13.3285 numMergedOcc 0
