0 mol 8 unq 0 iso 0 dist 7.61253 8.47701 9.59644 3.85275 6.52138 6.27069 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.89531 11.5522 9.59644 5.43242 6.52138 6.27069 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.11545 8.27706 6.68091 12.928 9.31461 4.66983 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 7.9118 7.41835 9.65377 4.12287 8.55161 5.09467 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 7.65728 4.17114 6.64564 7.09591 9.52717 3.86331 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 8.53459 4.71331 9.04543 4.74723 7.21223 5.40127 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 8.53459 4.37155 7.62107 4.74723 7.21223 3.58191 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 8.26423 9.64964 9.23605 3.82278 6.68153 5.96516 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 8.82919 13.4133 9.23605 11.8487 6.68153 5.96516 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 6.31934 5.56678 9.65672 5.12034 7.61377 10.6356 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 5.68303 3.95228 5.73908 3.97203 5.26566 7.27578 numMergedOcc 0
11 mol 68 unq 1 iso 0 dist 5.68303 3.95228 5.73908 3.90966 6.27118 5.66182 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.75856 11.3789 5.74637 7.19267 5.6516 4.56066 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 5.90675 7.35103 9.22651 4.12068 9.51771 10.0473 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 5.90675 4.11174 5.32892 4.12068 9.51771 7.08749 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 9.83241 10.4416 7.13958 9.45041 4.4077 3.54691 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 9.83241 10.4416 7.13958 5.50122 8.4874 5.56761 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.78385 3.93387 5.31333 15.1362 8.99777 12.2056 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 7.17789 6.59916 5.31333 16.123 8.99777 12.2056 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 5.34307 4.21724 8.32641 6.89078 7.90621 4.77079 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 5.34307 4.21724 8.32641 8.96035 8.0943 7.71219 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 8.68482 10.0412 4.45738 4.79731 6.46946 6.18322 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 9.63094 6.0649 8.99368 12.4587 8.99666 10.0331 numMergedOcc 0
23 mol 260 unq 0 iso 0 dist 5.16772 11.113 8.55211 4.38276 6.90472 9.04755 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 6.92271 11.7966 6.70414 9.69757 4.1545 7.31817 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 6.92271 11.7966 6.70414 10.2113 4.25172 3.91224 numMergedOcc 0
26 mol 277 unq 2 iso 0 dist 8.62666 7.00586 6.70414 7.55695 4.1545 7.31817 numMergedOcc 0
27 mol 277 unq 3 iso 0 dist 8.62666 7.00586 6.70414 6.26644 4.25172 3.91224 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 5.10476 4.10727 8.55037 4.82448 9.49562 3.83842 numMergedOcc 0
