0 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 10.6533 7.38017 12.3513 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 10.6533 7.38017 12.218 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.82505 7.12903 5.51916 4.13564 7.88714 10.4006 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.20519 9.80108 5.5841 7.16903 6.50337 5.64498 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.51865 8.58657 6.74265 4.13497 6.10339 11.4234 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 6.864 8.58657 5.5841 10.3465 6.50337 5.64498 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.80331 9.83618 10.4442 14.0634 9.89546 19.9325 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 6.09486 9.07906 10.3911 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 4.11544 7.742 9.32294 numMergedOcc 0
9 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 4.91588 7.742 9.32294 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 9.5589 5.02241 6.91765 15.2053 8.41018 14.6455 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 9.96708 7.321 9.0131 11.8198 4.69674 12.7304 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 5.46695 8.77199 10.5122 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 7.47541 7.22293 7.98917 11.3211 8.77199 10.5122 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 6.19965 9.47876 11.6116 5.46695 8.81824 10.5122 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 7.66905 7.22293 11.6116 11.3211 8.81824 10.5122 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 11.9839 9.54952 16.5629 numMergedOcc 0
17 mol 88 unq 1 iso 0 dist 9.36773 9.25235 5.37521 11.9839 9.54952 14.3833 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 7.17106 6.58204 5.01145 8.07597 7.98814 11.247 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 7.35754 7.52743 4.77056 3.9247 8.06359 9.18917 numMergedOcc 0
20 mol 127 unq 0 iso 0 dist 9.30299 9.81878 4.77464 12.4721 8.82676 13.4764 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 6.70283 9.13561 8.25411 5.97115 8.86966 11.7604 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 7.16148 9.13561 7.89109 5.97115 5.7527 11.7604 numMergedOcc 0
23 mol 155 unq 0 iso 0 dist 6.43582 9.14392 12.1814 4.47054 6.89245 13.3925 numMergedOcc 0
24 mol 155 unq 1 iso 0 dist 6.43582 7.51198 6.34186 4.47054 6.89245 10.9101 numMergedOcc 0
25 mol 178 unq 0 iso 0 dist 6.69288 8.96511 10.5783 4.43082 8.4173 13.1757 numMergedOcc 0
26 mol 178 unq 1 iso 0 dist 7.17202 8.96511 12.075 4.43082 6.55543 13.1757 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 6.61986 8.19953 10.7113 4.32714 7.80754 12.4783 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 6.61986 8.19953 10.7113 8.95149 8.20295 16.1425 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 7.09863 8.17891 9.13836 6.16261 6.40086 12.6208 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 4.60986 8.95981 13.5414 numMergedOcc 0
31 mol 249 unq 0 iso 0 dist 6.18582 8.83735 7.38675 5.40456 7.27415 13.1241 numMergedOcc 0
32 mol 252 unq 0 iso 0 dist 8.33025 7.66365 9.37715 12.9824 6.38733 14.5568 numMergedOcc 0
33 mol 252 unq 1 iso 0 dist 8.33025 7.66365 9.37715 15.2956 9.64349 17.9984 numMergedOcc 0
34 mol 261 unq 0 iso 0 dist 9.14619 7.47164 7.49174 15.4874 9.00426 16.4241 numMergedOcc 0
35 mol 261 unq 1 iso 0 dist 9.14619 7.47164 7.49174 13.3429 8.19348 15.0524 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 6.24356 9.0012 5.12409 14.5632 8.48407 7.26094 numMergedOcc 0
37 mol 264 unq 1 iso 0 dist 6.24356 9.5784 9.67998 14.5632 8.48407 13.1775 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 8.49997 7.97444 6.8406 6.55065 8.98154 7.64724 numMergedOcc 0
