0 mol 15 unq 0 iso 0 dist 6.82505 7.12903 5.51916 4.13564 7.88714 10.4006 9.03536 10.4158 8.21493 11.0267 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.20519 9.80108 5.5841 7.16903 6.50337 5.64498 7.07775 6.864 8.58657 10.3465 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.51865 8.58657 6.74265 4.13497 6.10339 11.4234 7.07775 10.4091 9.80108 9.50443 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.864 8.58657 5.5841 10.3465 6.50337 5.64498 7.07775 7.20519 9.80108 7.16903 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 4.11544 7.742 9.32294 5.24762 7.2846 6.34173 4.91588 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 6.43774 7.06308 4.71384 4.11544 7.742 9.32294 5.48601 10.8302 9.43442 6.30358 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 7.2846 6.34173 4.71384 4.91588 7.742 9.32294 5.24762 6.43774 7.06308 4.11544 numMergedOcc 0
7 mol 45 unq 3 iso 0 dist 7.2846 6.34173 4.71384 4.91588 7.742 9.32294 5.101 10.8302 9.43442 6.30358 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 5.46695 8.77199 10.5122 6.9948 7.47541 7.22293 11.3211 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.47541 7.22293 7.98917 11.3211 8.77199 10.5122 6.9948 7.97049 9.47876 5.46695 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 6.19965 9.47876 11.6116 5.46695 8.81824 10.5122 6.9948 7.66905 7.22293 11.3211 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 7.66905 7.22293 11.6116 11.3211 8.81824 10.5122 6.9948 6.19965 9.47876 5.46695 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 7.17106 6.58204 5.01145 8.07597 7.98814 11.247 5.88134 10.5134 7.75343 13.8188 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 7.35754 7.52743 4.77056 3.9247 8.06359 9.18917 5.59517 10.1937 8.71128 9.48108 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 6.43582 9.14392 12.1814 4.47054 6.89245 13.3925 5.71071 10.2463 7.16254 8.32106 numMergedOcc 0
15 mol 155 unq 1 iso 0 dist 6.43582 7.51198 6.34186 4.47054 6.89245 10.9101 5.71071 10.2463 9.86313 8.32106 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 7.09863 8.17891 9.13836 6.16261 6.40086 12.6208 5.22356 10.8157 6.95902 11.3848 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 4.60986 8.95981 13.5414 9.85037 11.9862 9.43058 13.4128 numMergedOcc 0
18 mol 235 unq 1 iso 0 dist 5.4638 9.58736 9.66021 4.60986 8.95981 13.5414 13.6669 15.2592 8.75735 17.382 numMergedOcc 0
19 mol 235 unq 2 iso 0 dist 5.4638 9.58736 9.66021 4.60986 8.95981 13.5414 16.4493 15.3051 6.98084 20.4241 numMergedOcc 0
20 mol 235 unq 3 iso 0 dist 5.4638 9.58736 9.66021 4.60986 8.95981 13.5414 15.4 16.4776 7.32211 18.266 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 6.18582 8.83735 7.38675 5.40456 7.27415 13.1241 8.34718 12.2913 8.96876 13.5317 numMergedOcc 0
