0 mol 18 unq 0 iso 0 dist 6.45965 3.65324 7.63261 10.4274 7.9504 11.1282 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.7961 9.79432 6.38662 7.27221 5.44077 6.12165 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.98824 6.23951 8.2344 5.09183 7.25561 8.89001 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 6.82522 9.49698 7.923 6.35259 9.02302 9.76143 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 6.82522 9.72663 8.54807 6.35259 9.02302 7.79077 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 9.89353 10.596 7.923 11.7257 9.02302 9.76143 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 9.89353 10.7094 8.54807 11.7257 9.02302 7.79077 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 9.14274 3.60769 9.31914 4.47971 9.83596 7.97502 numMergedOcc 0
8 mol 163 unq 0 iso 0 dist 9.04436 17.9188 9.36038 9.26106 8.66172 16.8942 numMergedOcc 0
9 mol 163 unq 1 iso 0 dist 9.04436 17.9188 9.36038 11.8961 6.89529 8.85389 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 6.76781 8.05784 8.40514 9.33176 5.31333 8.76824 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 9.51189 5.36105 8.40514 6.78172 5.31333 8.76824 numMergedOcc 0
12 mol 187 unq 0 iso 0 dist 9.70054 3.95468 5.95841 13.2691 5.82577 9.38569 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 9.6317 10.8101 6.99474 7.93773 4.45738 3.96829 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 5.29176 8.65644 7.95977 8.26563 8.40718 5.5367 numMergedOcc 0
15 mol 204 unq 2 iso 0 dist 5.29176 10.7616 8.17025 8.26563 8.40718 15.6599 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 9.31677 7.95454 6.54042 4.04412 9.5942 9.17371 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.69335 12.2667 7.49227 6.5366 9.87685 14.4022 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 9.69335 5.80203 8.09975 6.5366 9.87685 10.1619 numMergedOcc 0
19 mol 227 unq 2 iso 0 dist 5.36841 12.1436 7.49227 7.42961 9.87685 14.4022 numMergedOcc 0
20 mol 227 unq 3 iso 0 dist 5.36841 11.4863 8.09975 7.42961 9.87685 10.1619 numMergedOcc 0
