0 mol 44 unq 0 iso 0 dist 8.27424 4.52881 8.70604 4.61354 11.6594 7.85573 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 8.27424 4.52881 8.70604 6.03595 13.8406 6.21423 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 6.4519 4.52881 5.23045 4.61354 10.2296 7.85573 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 6.4519 4.52881 5.23045 6.03595 11.0179 6.21423 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 8.99557 7.06922 14.0277 5.79552 9.47718 9.98353 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 8.61714 7.77338 7.88793 5.85002 10.8317 9.33754 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 9.56049 6.21251 9.89759 6.40918 14.8049 6.98121 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 7.87915 8.72972 6.04275 12.4651 14.821 9.33202 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 7.87915 8.72972 6.04275 6.82052 10.1752 6.55004 numMergedOcc 0
9 mol 83 unq 3 iso 0 dist 7.87915 8.72972 6.04275 10.9597 11.421 7.16614 numMergedOcc 0
10 mol 83 unq 4 iso 0 dist 7.87915 8.72972 6.04275 13.4295 12.3384 9.35188 numMergedOcc 0
11 mol 89 unq 0 iso 0 dist 6.68154 5.37527 4.93796 5.97457 10.6165 7.24906 numMergedOcc 0
12 mol 99 unq 0 iso 0 dist 4.06171 6.24473 6.9006 6.27172 8.81282 5.33644 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 8.60361 6.13194 5.29056 6.21393 11.2492 6.71671 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.74464 6.30762 12.8661 9.30741 17.6325 8.89412 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 8.75007 4.84604 8.58899 9.45934 12.6339 6.85651 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 8.75007 4.84604 8.58899 5.10912 12.8104 7.03858 numMergedOcc 0
17 mol 148 unq 0 iso 0 dist 7.6395 7.76167 6.71172 5.92269 10.9593 6.60739 numMergedOcc 0
18 mol 148 unq 1 iso 0 dist 7.6395 8.63766 9.35622 5.92269 10.9593 9.22427 numMergedOcc 0
19 mol 148 unq 2 iso 0 dist 7.6395 8.42082 10.2818 5.92269 10.9593 5.55129 numMergedOcc 0
20 mol 150 unq 0 iso 0 dist 7.67343 7.83202 6.72413 5.95123 11.0233 6.71763 numMergedOcc 0
21 mol 150 unq 1 iso 0 dist 7.67343 8.7107 9.42084 5.95123 11.0233 9.32504 numMergedOcc 0
22 mol 150 unq 2 iso 0 dist 7.67343 8.47493 10.2642 5.95123 11.0233 5.53778 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 7.75422 6.66634 4.68064 9.71601 10.1509 6.50727 numMergedOcc 0
24 mol 197 unq 1 iso 0 dist 7.75422 6.66634 4.68064 13.0921 9.89359 7.84826 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 8.8495 9.10711 6.72047 13.3146 12.1018 8.56656 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 8.00688 9.10711 8.92874 13.3146 16.1011 8.56656 numMergedOcc 0
27 mol 237 unq 0 iso 0 dist 9.66939 8.81333 4.68717 5.61195 7.66306 8.37331 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 8.50624 9.09556 13.152 4.86861 12.5877 6.98812 numMergedOcc 0
