0 mol 8 unq 0 iso 0 dist 8.76702 6.27477 8.02605 4.11115 8.89145 6.92865 8.37509 5.7343 11.3728 9.00925 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.27477 8.76702 8.02605 4.11115 6.92865 8.89145 8.37509 11.3728 5.7343 9.00925 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.48453 8.80499 5.14154 5.21083 6.53817 9.81769 12.1881 11.7814 14.8418 9.26685 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.80499 8.48453 5.14154 5.21083 9.81769 6.53817 12.1881 14.8418 11.7814 9.26685 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.65229 7.63658 10.838 11.4776 5.81552 15.8477 13.0796 9.60908 18.8242 9.42175 numMergedOcc 0
5 mol 175 unq 0 iso 0 dist 7.04318 8.50904 6.2715 8.21784 6.73365 12.3723 7.01007 6.15969 9.78176 8.6609 numMergedOcc 0
6 mol 175 unq 1 iso 0 dist 7.04318 8.50904 6.2715 8.21784 6.73365 12.3723 10.6965 5.50014 11.5099 6.21546 numMergedOcc 0
7 mol 175 unq 2 iso 0 dist 7.04318 8.50904 6.2715 8.21784 6.73365 12.3723 12.0647 7.28617 12.1783 6.03184 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 13.2658 9.63295 18.8903 10.7353 5.16386 14.1551 6.47689 numMergedOcc 0
9 mol 218 unq 0 iso 0 dist 5.52981 6.22077 7.83217 6.43128 9.88212 11.5094 10.7321 9.38348 12.0496 9.86417 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 7.96424 5.40366 6.89336 4.36623 7.30244 7.29796 7.03223 10.48 5.23846 7.35148 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 7.96424 8.93637 13.4403 4.36623 7.30244 11.6747 7.03223 10.48 6.02282 7.35148 numMergedOcc 0
12 mol 220 unq 2 iso 0 dist 5.40366 7.96424 6.89336 4.36623 7.29796 7.30244 7.03223 5.23846 10.48 7.35148 numMergedOcc 0
13 mol 220 unq 3 iso 0 dist 5.40366 8.93637 6.55533 4.36623 7.29796 11.6747 7.03223 5.23846 6.02282 7.35148 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 6.49599 9.34738 4.86771 6.96133 6.96379 11.7889 10.3275 5.71237 9.10984 6.76656 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 6.49599 9.47382 6.96053 6.96133 6.96379 11.1532 10.3275 5.71237 11.8501 6.76656 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 7.7309 7.26647 4.63549 11.0146 9.43169 13.1629 10.703 8.80293 12.8629 6.41477 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 7.22438 7.66615 5.40809 10.4121 4.78812 6.62923 12.4008 5.96981 7.55961 7.50321 numMergedOcc 0
18 mol 272 unq 1 iso 0 dist 7.22438 7.66615 5.40809 10.4121 4.78812 6.62923 10.2183 6.76845 5.43733 9.61597 numMergedOcc 0
19 mol 272 unq 2 iso 0 dist 7.66615 7.22438 5.40809 10.4121 6.62923 4.78812 12.4008 7.55961 5.96981 7.50321 numMergedOcc 0
20 mol 272 unq 3 iso 0 dist 7.66615 7.22438 5.40809 10.4121 6.62923 4.78812 10.2183 5.43733 6.76845 9.61597 numMergedOcc 0
21 mol 276 unq 0 iso 0 dist 6.24808 7.11272 8.84158 7.74891 8.95876 14.6555 16.2114 13.702 21.9308 9.68846 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 7.70229 7.90792 4.66602 5.64349 6.84554 9.51581 9.40138 4.58403 5.04235 7.93511 numMergedOcc 0
23 mol 282 unq 1 iso 0 dist 7.90792 7.70229 4.66602 5.64349 9.51581 6.84554 9.40138 5.04235 4.58403 7.93511 numMergedOcc 0
