0 mol 19 unq 0 iso 0 dist 6.8824 9.50382 4.55916 5.83115 9.3147 9.65404 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 6.8824 9.3147 5.83115 4.55916 9.50382 9.65404 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.8824 9.50382 4.55916 13.3381 9.79426 13.738 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.8824 9.79426 13.3381 4.55916 9.50382 13.738 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.66272 8.36915 4.8908 13.2371 8.28883 13.1337 numMergedOcc 0
5 mol 48 unq 0 iso 1 dist 8.66272 8.28883 13.2371 4.8908 8.36915 13.1337 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.66272 6.01454 5.82846 13.2371 8.28883 8.96621 numMergedOcc 0
7 mol 48 unq 1 iso 1 dist 8.66272 8.28883 13.2371 5.82846 6.01454 8.96621 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.74278 7.96689 7.72261 13.4864 9.07294 9.09263 numMergedOcc 0
9 mol 133 unq 0 iso 1 dist 7.74278 9.07294 13.4864 7.72261 7.96689 9.09263 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 7.74278 4.83134 4.27464 13.4864 9.07294 12.5872 numMergedOcc 0
11 mol 133 unq 1 iso 1 dist 7.74278 9.07294 13.4864 4.27464 4.83134 12.5872 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 8.54607 9.6582 7.72261 16.2835 9.07294 9.09263 numMergedOcc 0
13 mol 133 unq 2 iso 1 dist 8.54607 9.07294 16.2835 7.72261 9.6582 9.09263 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 8.54607 5.17734 4.27464 16.2835 9.07294 12.5872 numMergedOcc 0
15 mol 133 unq 3 iso 1 dist 8.54607 9.07294 16.2835 4.27464 5.17734 12.5872 numMergedOcc 0
16 mol 165 unq 0 iso 0 dist 7.74717 8.2197 9.78341 11.997 9.59989 16.6865 numMergedOcc 0
17 mol 165 unq 0 iso 1 dist 7.74717 9.59989 11.997 9.78341 8.2197 16.6865 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.87204 8.39345 12.085 8.42816 9.94142 8.51847 numMergedOcc 0
19 mol 186 unq 0 iso 1 dist 7.87204 9.94142 8.42816 12.085 8.39345 8.51847 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 7.52542 6.24111 6.24537 7.14852 8.88067 10.5577 numMergedOcc 0
21 mol 210 unq 0 iso 1 dist 7.52542 8.88067 7.14852 6.24537 6.24111 10.5577 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 7.52542 8.60412 6.20582 7.14852 8.88067 12.6135 numMergedOcc 0
23 mol 210 unq 1 iso 1 dist 7.52542 8.88067 7.14852 6.20582 8.60412 12.6135 numMergedOcc 0
24 mol 210 unq 2 iso 0 dist 9.58979 9.00343 6.24537 11.028 8.88067 10.5577 numMergedOcc 0
25 mol 210 unq 2 iso 1 dist 9.58979 8.88067 11.028 6.24537 9.00343 10.5577 numMergedOcc 0
26 mol 210 unq 3 iso 0 dist 9.58979 7.05535 6.20582 11.028 8.88067 12.6135 numMergedOcc 0
27 mol 210 unq 3 iso 1 dist 9.58979 8.88067 11.028 6.20582 7.05535 12.6135 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 6.45234 7.35148 9.97963 11.8854 9.17355 16.9395 numMergedOcc 0
29 mol 220 unq 0 iso 1 dist 6.45234 9.17355 11.8854 9.97963 7.35148 16.9395 numMergedOcc 0
30 mol 223 unq 0 iso 0 dist 9.03969 9.29204 12.1037 6.5658 7.57564 10.9317 numMergedOcc 0
31 mol 223 unq 0 iso 1 dist 9.03969 7.57564 6.5658 12.1037 9.29204 10.9317 numMergedOcc 0
32 mol 223 unq 1 iso 0 dist 9.03969 9.14789 14.841 6.5658 7.57564 11.6333 numMergedOcc 0
33 mol 223 unq 1 iso 1 dist 9.03969 7.57564 6.5658 14.841 9.14789 11.6333 numMergedOcc 0
34 mol 223 unq 2 iso 0 dist 9.03969 7.80764 11.4317 6.5658 7.57564 12.3717 numMergedOcc 0
35 mol 223 unq 2 iso 1 dist 9.03969 7.57564 6.5658 11.4317 7.80764 12.3717 numMergedOcc 0
36 mol 223 unq 3 iso 0 dist 9.03969 5.75896 4.44076 6.5658 7.57564 7.22882 numMergedOcc 0
37 mol 223 unq 3 iso 1 dist 9.03969 7.57564 6.5658 4.44076 5.75896 7.22882 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 9.31156 7.62593 12.0777 5.66462 7.58998 9.97504 numMergedOcc 0
39 mol 224 unq 0 iso 1 dist 9.31156 7.58998 5.66462 12.0777 7.62593 9.97504 numMergedOcc 0
40 mol 266 unq 0 iso 0 dist 8.48012 8.12204 4.62446 5.69904 5.28417 8.14167 numMergedOcc 0
41 mol 266 unq 0 iso 1 dist 8.48012 5.28417 5.69904 4.62446 8.12204 8.14167 numMergedOcc 0
