0 mol 21 unq 0 iso 0 dist 6.97295 9.14995 8.85347 12.2506 7.30688 7.08873 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 6.97295 9.14995 8.85347 8.76382 6.70786 11.1907 numMergedOcc 0
2 mol 21 unq 2 iso 0 dist 6.97295 9.14995 8.85347 10.1879 8.16395 9.73407 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.49678 5.50758 8.89758 4.27513 7.78899 6.474 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 6.26613 6.5074 8.62669 12.858 8.79235 10.4432 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 7.96214 11.6666 8.125 8.21525 6.34748 5.16401 numMergedOcc 0
6 mol 56 unq 1 iso 0 dist 7.96214 11.6666 8.125 4.55988 8.25594 13.2675 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 9.67476 6.50049 7.9572 6.00324 6.44825 9.25732 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 9.67476 13.4853 8.64208 6.00324 6.44825 13.625 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 5.68303 10.2854 9.7754 6.98599 8.52421 4.05832 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.08674 9.08836 4.83274 4.05111 6.97936 6.77898 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 8.33694 9.08836 7.89214 4.05111 5.00466 6.77898 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.2929 6.06993 8.93552 4.71965 9.03339 9.38943 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 5.2929 5.29965 8.35604 4.71965 9.03339 5.64974 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.70916 5.56707 7.15203 5.39761 9.7105 6.9945 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 7.47948 5.16719 8.34161 7.89008 4.89503 5.43727 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 7.47948 5.52957 6.95381 7.89008 4.89503 6.05886 numMergedOcc 0
17 mol 158 unq 2 iso 0 dist 6.06276 8.1066 8.34161 4.77306 4.89503 5.43727 numMergedOcc 0
18 mol 158 unq 3 iso 0 dist 6.06276 5.155 6.95381 4.77306 4.89503 6.05886 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 7.71773 8.14671 8.84671 12.0645 6.95244 7.73027 numMergedOcc 0
20 mol 173 unq 1 iso 0 dist 7.71773 8.14671 8.84671 11.5524 6.11224 8.97627 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 8.86673 4.33134 8.03597 5.60861 9.76574 5.1409 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 8.35833 5.85344 7.24395 10.9966 7.7619 7.07534 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 6.73513 10.4602 6.57849 4.60102 5.63283 6.37317 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 7.73969 5.81354 6.73134 7.15922 9.67162 4.66414 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 6.92271 6.29035 9.84188 14.6762 9.91103 19.0436 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 6.92271 6.29035 9.84188 11.68 7.0603 15.7645 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 6.92271 4.83355 8.35794 14.6762 9.91103 17.6038 numMergedOcc 0
28 mol 277 unq 3 iso 0 dist 6.92271 4.83355 8.35794 11.68 7.0603 14.772 numMergedOcc 0
29 mol 277 unq 4 iso 0 dist 8.62666 15.7541 9.84188 11.3103 9.91103 19.0436 numMergedOcc 0
30 mol 277 unq 5 iso 0 dist 8.62666 15.7541 9.84188 10.5734 7.0603 15.7645 numMergedOcc 0
31 mol 277 unq 6 iso 0 dist 8.62666 11.2857 8.35794 11.3103 9.91103 17.6038 numMergedOcc 0
32 mol 277 unq 7 iso 0 dist 8.62666 11.2857 8.35794 10.5734 7.0603 14.772 numMergedOcc 0
