0 mol 21 unq 0 iso 0 dist 8.09082 7.5136 5.3862 10.0518 7.05407 9.6925 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.3224 8.71602 7.62116 10.0107 7.27243 13.7441 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 8.3224 8.71602 7.62116 8.43217 8.23784 12.9185 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 8.3224 7.54379 8.79591 10.0107 7.27243 14.6528 numMergedOcc 0
4 mol 30 unq 3 iso 0 dist 8.3224 7.54379 8.79591 8.43217 8.23784 14.1644 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 5.39587 6.47252 11.6209 10.0272 7.01952 14.2738 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 5.39587 6.47252 11.6209 6.65242 4.58552 11.2418 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 6.14652 7.76446 5.83782 11.6261 8.62504 11.2397 numMergedOcc 0
8 mol 184 unq 0 iso 0 dist 8.09403 8.33147 5.33725 8.04827 4.61596 9.52678 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.00537 6.04336 7.15345 12.9635 8.5672 13.7317 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 8.95209 9.16579 9.58899 13.1688 8.36129 17.3106 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 8.95209 9.16579 9.58899 12.4508 5.86483 14.7489 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 7.59666 6.51936 6.1208 5.10199 9.26214 5.00369 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 6.51936 7.59666 6.1208 5.10199 5.00369 9.26214 numMergedOcc 0
14 mol 207 unq 0 iso 0 dist 7.25953 9.05688 6.07936 7.22657 4.76113 9.29133 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 8.28155 9.41353 6.12994 12.1239 9.37602 10.3247 numMergedOcc 0
16 mol 217 unq 1 iso 0 dist 8.28155 9.41353 6.12994 9.1242 8.26522 12.9082 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 8.63804 8.61619 3.58181 6.42324 8.14294 5.72 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 8.61619 8.63804 3.58181 6.42324 5.72 8.14294 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 6.0751 9.00218 5.11832 6.49444 9.01338 11.9954 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 9.30388 8.96099 6.27924 5.76716 8.30024 8.20943 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 8.96099 9.30388 6.27924 5.76716 8.20943 8.30024 numMergedOcc 0
22 mol 243 unq 2 iso 0 dist 6.56525 5.78671 6.68192 9.67191 8.20943 13.5858 numMergedOcc 0
23 mol 243 unq 3 iso 0 dist 6.56525 5.46817 6.67199 9.67191 8.20943 12.9457 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 7.88009 5.80061 3.39114 5.62605 7.16209 4.62936 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 5.80061 7.88009 3.39114 5.62605 4.62936 7.16209 numMergedOcc 0
