0 mol 26 unq 0 iso 0 dist 5.97065 4.18634 5.84066 8.69142 4.98603 6.07276 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.46609 3.62638 7.95451 6.27321 12.9103 7.98985 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 7.95972 10.6185 6.7272 14.4253 7.04549 7.58875 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 6.85365 4.9759 8.91262 9.86487 10.8329 8.72725 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 6.85365 6.59976 6.12922 9.86487 10.8329 6.11407 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 4.95674 7.44092 8.55349 12.0146 11.5342 8.83732 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 7.17226 11.0449 8.55349 16.0553 11.5342 8.83732 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 4.87879 8.17498 5.73203 11.8878 12.2578 7.83568 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 6.76614 6.6473 5.73203 10.2954 12.2578 7.83568 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 8.80672 6.67639 5.73203 11.4172 12.2578 7.83568 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 9.55297 11.0797 7.54341 16.7298 11.3535 7.58337 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 9.70106 4.33327 7.29911 13.4295 9.50478 9.16358 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 9.70106 4.33327 7.29911 13.1215 12.0574 9.24038 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 8.64561 11.5968 9.74988 18.1955 11.5313 9.24936 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 8.20906 5.055 9.58372 9.10678 10.8576 5.44533 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 7.89694 6.27279 9.59426 11.0796 6.53543 8.57119 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 5.66171 6.27279 8.61306 11.0796 9.52657 8.57119 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 7.54327 16.363 9.11572 12.0552 7.17691 7.77911 numMergedOcc 0
18 mol 267 unq 0 iso 0 dist 6.87713 10.6273 5.08174 14.2752 10.0939 6.27154 numMergedOcc 0
19 mol 267 unq 1 iso 0 dist 8.87518 10.1261 5.08174 15.0623 10.0939 6.27154 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 9.93542 4.3735 9.06937 6.59092 6.2726 5.61969 numMergedOcc 0
21 mol 273 unq 1 iso 0 dist 9.93542 4.3735 9.06937 10.8337 5.33053 9.0277 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 8.38395 11.3961 6.66172 15.227 12.625 9.65868 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 8.38395 11.3961 6.66172 6.74022 4.60275 8.60027 numMergedOcc 0
