0 mol 16 unq 0 iso 0 dist 9.15471 8.59049 9.30655 6.21616 3.83262 6.86055 5.70228 10.3488 4.7319 7.65889 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.15471 8.59049 9.30655 9.45103 5.7598 12.9201 5.70228 10.3488 4.7319 13.1847 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 5.26536 8.05602 12.5137 4.79891 6.40382 7.03983 12.0507 15.9063 5.08437 9.89095 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 5.26536 8.05602 12.5137 4.79891 6.40382 7.03983 4.72129 9.4286 6.48948 7.02507 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 5.26536 8.05602 12.5137 4.79891 6.40382 7.03983 12.0339 17.163 6.10456 12.7417 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.09751 8.96916 12.7068 5.30117 6.55074 6.30222 5.92158 9.27725 6.45675 5.35782 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 8.09751 5.70279 11.3776 5.30117 6.55074 5.47563 5.92158 9.27725 7.47343 5.35782 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 8.09751 5.70279 11.3776 5.30117 6.55074 5.47563 5.85449 13.9516 6.65086 9.94341 numMergedOcc 0
8 mol 100 unq 3 iso 0 dist 8.09751 5.70279 11.3776 5.30117 6.55074 5.47563 7.68675 13.081 6.56369 9.82522 numMergedOcc 0
9 mol 100 unq 4 iso 0 dist 8.09751 5.70279 11.3776 5.30117 6.55074 5.47563 9.53223 17.0478 9.30209 13.4844 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 7.26325 6.23966 5.12351 8.46972 9.14454 6.28232 5.16275 12.0652 9.61051 11.3039 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 7.26325 6.23966 5.12351 8.46972 9.14454 6.28232 6.65856 6.42706 5.83384 11.7541 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 7.21779 7.15087 9.15453 5.90339 4.65943 4.67662 8.68855 10.1001 9.2313 7.81207 numMergedOcc 0
13 mol 142 unq 1 iso 0 dist 7.21779 7.15087 9.15453 5.90339 4.65943 4.67662 5.50176 9.78089 5.31024 6.14151 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 8.3622 5.68636 8.78324 8.14405 10.5172 4.91785 7.92939 14.5301 6.43582 8.97626 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 8.18749 9.73411 11.2298 5.31916 5.81697 7.05804 14.1073 18.8009 8.95269 13.2325 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 8.18749 9.73411 11.2298 5.31916 5.81697 7.05804 9.81806 14.526 6.57273 8.79428 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 8.18749 9.73411 11.2298 5.31916 5.81697 7.05804 5.99647 10.0508 5.78342 6.8692 numMergedOcc 0
18 mol 224 unq 3 iso 0 dist 8.18749 7.75485 5.95421 5.31916 5.81697 4.54188 5.99647 10.0508 5.81334 6.8692 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 6.86281 8.8557 11.8327 8.3932 9.72183 4.17276 5.65373 11.2048 8.22528 10.3243 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 6.86281 5.00457 6.36273 8.3932 9.72183 4.92403 5.65373 11.2048 7.03423 10.3243 numMergedOcc 0
21 mol 229 unq 2 iso 0 dist 6.86281 5.00457 6.36273 8.3932 9.72183 4.92403 6.23084 8.68804 9.06952 13.7137 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 7.75366 4.87108 10.3683 5.41453 4.70535 6.82305 7.45873 14.2408 6.22714 10.1172 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 7.75366 7.64276 10.313 5.41453 4.70535 5.71717 7.45873 14.2408 7.31233 10.1172 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 9.11322 8.30175 4.54436 9.38914 8.83156 5.36857 5.55557 11.5357 9.10818 10.5494 numMergedOcc 0
25 mol 280 unq 0 iso 0 dist 6.38295 8.80588 8.26589 6.16546 4.06908 4.90315 8.30978 5.41639 6.53701 6.02353 numMergedOcc 0
26 mol 280 unq 1 iso 0 dist 6.38295 8.80588 8.26589 6.16546 4.06908 4.90315 5.80223 7.96485 6.0664 6.86234 numMergedOcc 0
