0 mol 29 unq 0 iso 0 dist 6.73481 8.54108 5.82508 9.12482 6.31736 5.35542 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 7.96306 7.88321 12.0861 9.68539 12.9164 4.89559 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.31292 5.76869 7.94107 8.55031 13.8587 10.6623 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 9.31292 7.70084 5.96842 8.55031 13.8587 10.1549 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.41952 7.75769 11.2457 5.58384 6.55138 4.85476 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 6.35789 8.58588 8.89127 9.3913 10.1544 9.84642 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.00829 8.27253 9.02468 5.28955 6.16644 4.92027 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 9.28415 8.53875 9.442 6.32669 7.38452 8.28737 numMergedOcc 0
8 mol 185 unq 0 iso 0 dist 7.64068 7.18997 6.35924 5.40655 4.81985 4.66784 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.31333 6.64749 9.36417 9.89709 9.79728 7.89295 numMergedOcc 0
10 mol 212 unq 0 iso 0 dist 9.50782 7.97667 9.14195 9.89938 4.38458 8.15312 numMergedOcc 0
11 mol 244 unq 0 iso 0 dist 9.53211 9.16789 8.64762 9.91271 6.33602 13.018 numMergedOcc 0
12 mol 244 unq 1 iso 0 dist 9.57082 9.16789 14.3634 9.91271 16.7499 13.018 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 9.17911 5.53473 11.1086 6.18894 11.4659 5.33261 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 9.52903 6.41167 5.79358 9.4886 12.9877 7.55896 numMergedOcc 0
15 mol 264 unq 0 iso 0 dist 9.67311 6.43775 5.79196 9.8799 7.84436 10.7459 numMergedOcc 0
16 mol 273 unq 0 iso 0 dist 6.73794 5.75335 7.01631 8.78928 4.62586 7.68527 numMergedOcc 0
17 mol 273 unq 1 iso 0 dist 6.73794 8.76527 7.05181 8.78928 4.62586 10.4936 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 8.55037 6.33332 10.8016 5.27236 9.06411 5.62438 numMergedOcc 0
19 mol 294 unq 1 iso 0 dist 5.71656 6.33332 5.7005 5.27236 7.05161 5.62438 numMergedOcc 0
