0 mol 18 unq 0 iso 0 dist 6.07388 6.21002 6.01053 4.76462 5.10885 5.32758 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 6.55283 5.63976 8.8018 7.07579 5.76475 6.35516 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 6.98108 5.30048 9.27081 11.2228 7.8729 9.4211 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 5.8101 4.64851 9.32771 5.45932 7.43769 6.52881 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 5.8101 4.64851 9.32771 8.19237 5.2315 10.2374 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 8.27773 6.97576 9.61935 15.3517 9.44289 15.907 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.93807 7.77542 7.69401 4.42919 9.97663 4.86592 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.09598 16.7953 8.75049 13.3244 8.966 14.8102 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 6.23725 6.11262 8.79811 5.93581 6.75601 5.50251 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.3959 14.7012 9.16817 6.56403 7.51714 8.98536 numMergedOcc 0
10 mol 230 unq 0 iso 0 dist 7.07973 4.57675 9.0813 8.95878 8.19003 9.42172 numMergedOcc 0
11 mol 230 unq 1 iso 0 dist 7.07973 7.29701 5.94606 8.95878 8.19003 6.17246 numMergedOcc 0
12 mol 230 unq 2 iso 0 dist 6.0847 10.7974 9.0813 10.3317 8.19003 9.42172 numMergedOcc 0
13 mol 230 unq 3 iso 0 dist 6.0847 4.74715 5.94606 10.3317 8.19003 6.17246 numMergedOcc 0
14 mol 251 unq 0 iso 0 dist 9.0301 10.0672 9.207 14.0305 7.81441 12.5663 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 6.27699 9.65708 7.98028 8.02986 5.96512 4.66802 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 6.27699 10.4505 5.8473 8.02986 5.96512 6.93678 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 7.27463 9.26294 9.00426 6.66635 9.53126 6.47519 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 8.44743 6.04536 8.98154 6.84952 9.71673 5.29529 numMergedOcc 0
19 mol 282 unq 0 iso 0 dist 7.60718 11.6845 9.15503 10.8273 9.87988 6.46616 numMergedOcc 0
