0 mol 34 unq 0 iso 0 dist 7.77613 7.61802 10.4158 4.61111 7.68019 11.9703 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 6.75432 8.14006 3.83635 3.89181 7.49792 9.7316 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 8.45469 8.14006 7.8878 3.89181 6.58981 9.7316 numMergedOcc 0
3 mol 62 unq 2 iso 0 dist 7.63855 5.48283 5.90259 5.4275 6.51901 7.16844 numMergedOcc 0
4 mol 62 unq 3 iso 0 dist 7.63855 8.18866 9.68848 5.4275 6.51901 9.24339 numMergedOcc 0
5 mol 62 unq 4 iso 0 dist 5.48766 5.48283 6.38075 5.4275 9.1926 7.16844 numMergedOcc 0
6 mol 62 unq 5 iso 0 dist 5.48766 8.18866 10.4421 5.4275 9.1926 9.24339 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 9.54529 9.35792 4.13643 4.5904 7.31881 9.14801 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 6.73908 7.11218 4.13643 4.63088 7.31881 9.14801 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 9.94646 8.17687 7.18166 7.99635 9.86131 10.2881 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 9.94646 8.17687 7.18166 6.27386 6.75985 4.62636 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 9.25793 7.15918 5.41241 4.3421 6.77993 7.62463 numMergedOcc 0
12 mol 96 unq 0 iso 0 dist 8.36933 8.0422 6.67182 13.8839 7.22615 13.1268 numMergedOcc 0
13 mol 96 unq 1 iso 0 dist 7.05183 8.0422 6.36384 6.10205 8.95766 12.955 numMergedOcc 0
14 mol 96 unq 2 iso 0 dist 7.05183 8.0422 6.36384 10.0347 8.6548 14.3127 numMergedOcc 0
15 mol 146 unq 0 iso 0 dist 8.64781 8.82192 3.75935 5.64529 8.91908 10.4559 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 5.58048 8.79027 3.85894 7.34804 8.54982 10.5462 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 7.00531 8.52022 8.80168 6.47265 6.23243 11.5172 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 7.95509 9.1027 9.79132 4.7035 8.7917 10.0681 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 7.95509 8.54373 9.47138 4.7035 8.7917 7.80676 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 9.21721 4.58113 8.96906 14.6218 8.52735 16.321 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 9.21721 4.58113 8.96906 8.58432 5.65735 10.6109 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 7.59505 9.51394 8.93497 5.28038 8.4625 4.93516 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 8.62338 7.37164 6.60353 7.52677 8.15636 6.22311 numMergedOcc 0
24 mol 287 unq 2 iso 0 dist 8.62338 7.37164 6.60353 9.46641 7.86292 10.9964 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.59505 9.51394 8.93497 5.28038 8.4625 4.93516 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 8.62338 7.37164 6.60353 7.52677 8.15636 6.22311 numMergedOcc 0
27 mol 288 unq 2 iso 0 dist 8.62338 7.37164 6.60353 9.46641 7.86292 10.9964 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 7.59505 9.51394 8.93497 5.28038 8.4625 4.93516 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 8.62338 7.37164 6.60353 7.52677 8.15636 6.22311 numMergedOcc 0
30 mol 289 unq 2 iso 0 dist 8.62338 7.37164 6.60353 9.46641 7.86292 10.9964 numMergedOcc 0
