0 mol 39 unq 0 iso 0 dist 8.14175 6.17708 7.13642 7.03098 14.1443 9.17793 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 6.38956 6.17708 5.88717 7.03098 12.6077 9.17793 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 8.23686 7.21134 3.77519 16.036 9.74162 9.08745 numMergedOcc 0
3 mol 69 unq 1 iso 0 dist 9.38571 7.21134 14.5169 16.036 23.4637 9.08745 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 7.55854 7.49235 4.85981 7.76629 8.24402 6.67678 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 7.55854 7.49235 4.85981 8.52218 10.1292 7.24956 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 7.55854 7.49235 4.85981 3.83191 7.14241 8.28591 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 7.55854 7.49235 4.85981 3.77555 10.5252 9.40687 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 7.55854 7.19431 4.03764 3.83191 7.14241 5.35008 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 7.55854 7.19431 4.03764 3.77555 10.5252 8.84576 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 8.71613 8.71812 5.77115 6.28158 9.53338 7.54274 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 8.77324 9.70796 6.49048 7.64279 11.1776 8.93091 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 5.82681 8.9388 11.3012 9.09753 11.1673 9.17458 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 5.82681 8.9388 11.3012 6.7472 8.35588 7.36794 numMergedOcc 0
14 mol 193 unq 0 iso 0 dist 7.77216 5.06367 6.90307 9.34378 9.00084 6.94187 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 9.91392 8.28155 10.6585 5.14513 12.9473 6.19602 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 8.90583 8.34875 5.27153 4.94939 11.9419 9.07313 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 9.85333 6.0751 7.87864 5.31235 7.97911 8.4338 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 5.27218 6.95744 4.08014 3.68745 4.44509 7.97504 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 8.88803 6.19564 4.58993 9.96926 4.76164 7.49606 numMergedOcc 0
