0 mol 34 unq 0 iso 0 dist 7.66913 5.39587 9.12176 10.0272 12.8273 7.01952 8.36524 7.86199 4.55481 7.18022 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 7.66913 5.39587 9.12176 6.65242 10.5579 4.58552 8.36524 7.86199 4.55481 6.24711 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 6.14674 6.99586 6.48115 10.4961 12.1256 9.99441 12.6171 12.6235 6.77937 9.36001 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.88541 8.00085 5.79394 7.83378 14.1491 9.09348 6.43255 9.29894 5.00433 7.07971 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 7.35647 9.47287 10.5637 9.41378 14.321 7.5573 14.3383 16.4453 7.21225 6.93139 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 6.08299 6.14652 6.93712 11.6261 9.0176 8.62504 9.14415 7.1797 4.46337 9.66543 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 6.08299 6.14652 6.93712 11.6261 9.0176 8.62504 9.79337 4.57832 7.41373 7.21868 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 6.08299 6.14652 6.93712 11.6261 9.0176 8.62504 10.5814 5.29786 10.8635 7.93372 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.10556 5.05627 3.98068 6.83215 5.92302 7.92216 10.9387 10.1386 13.2918 8.07097 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 8.27017 9.71155 10.518 4.6728 12.2437 9.43904 5.21803 5.8736 5.65603 7.37333 numMergedOcc 0
10 mol 162 unq 1 iso 0 dist 8.27017 9.71155 10.518 7.06734 13.1079 7.01095 5.21803 5.8736 5.65603 7.45998 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 6.90717 5.56977 3.91276 10.4985 12.9546 9.43017 16.8522 20.3282 16.8346 7.46481 numMergedOcc 0
12 mol 217 unq 0 iso 0 dist 5.88992 8.28155 9.98266 12.1239 16.9806 9.37602 11.6369 14.0834 4.64118 7.60269 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 7.30188 6.56525 3.85188 9.67191 11.4892 8.20943 10.8689 6.60697 5.74165 8.69318 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 6.71956 9.22453 6.64795 10.3171 9.26157 7.16209 7.151 6.28695 11.2997 9.57499 numMergedOcc 0
15 mol 277 unq 1 iso 0 dist 6.71956 9.22453 6.64795 10.3171 9.26157 7.16209 8.53324 4.37645 4.40029 5.46926 numMergedOcc 0
16 mol 277 unq 2 iso 0 dist 6.71956 9.22453 6.64795 10.3171 9.26157 7.16209 7.23956 7.70529 3.97543 8.9682 numMergedOcc 0
17 mol 277 unq 3 iso 0 dist 6.71956 9.22453 6.64795 10.6814 9.11117 4.62936 8.53324 4.37645 4.40029 5.13913 numMergedOcc 0
18 mol 277 unq 4 iso 0 dist 6.71956 9.22453 6.64795 10.6814 9.11117 4.62936 7.23956 7.70529 3.97543 6.92711 numMergedOcc 0
