0 mol 18 unq 0 iso 0 dist 8.95573 4.86477 8.09187 7.66002 5.61403 6.19657 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 8.71628 9.24986 8.19827 9.25342 5.48326 8.38129 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.97065 8.4126 7.84204 10.3117 4.93779 8.00784 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 5.62294 5.00416 5.48202 10.3745 5.68507 8.19398 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 7.99569 4.00828 5.48202 11.9722 5.68507 8.19398 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 9.6785 8.14095 5.96977 14.584 13.0805 9.00059 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 9.6785 8.14095 5.96977 7.87576 6.45112 9.87517 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 9.6785 8.14095 5.96977 10.0361 6.10186 7.90713 numMergedOcc 0
8 mol 197 unq 0 iso 0 dist 6.58245 9.33865 9.77656 12.7699 10.1284 7.06868 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 6.37411 12.0078 9.81165 12.9856 6.96766 9.88692 numMergedOcc 0
10 mol 205 unq 1 iso 0 dist 6.37411 8.82295 7.8423 12.9856 6.96766 9.38368 numMergedOcc 0
11 mol 205 unq 2 iso 0 dist 6.37411 8.82295 7.8423 14.784 9.95664 9.29298 numMergedOcc 0
12 mol 254 unq 0 iso 0 dist 9.16587 5.5598 7.23916 8.17022 7.38226 5.39865 numMergedOcc 0
13 mol 254 unq 1 iso 0 dist 9.16587 3.71879 6.12653 8.17022 7.38226 5.0346 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 9.28545 7.69413 8.13595 5.73065 8.46112 9.48076 numMergedOcc 0
15 mol 277 unq 1 iso 0 dist 9.28545 7.69413 8.13595 15.6585 13.0233 8.04081 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 8.70062 7.70421 7.77225 13.758 5.89971 9.78064 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 8.70062 7.70421 7.77225 13.758 5.89971 9.78064 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 8.70062 7.70421 7.77225 13.758 5.89971 9.78064 numMergedOcc 0
