0 mol 15 unq 0 iso 0 dist 8.37378 4.64441 6.23015 6.60595 10.1154 8.85174 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 5.99176 4.4386 6.29797 9.90392 5.68392 7.6114 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.98583 5.82028 6.29797 10.9818 5.68392 7.6114 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 6.02472 3.66253 5.43693 13.0737 11.1395 9.9787 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 6.65867 4.70443 6.63448 10.8421 9.49968 7.57295 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 6.65867 4.70443 6.63448 10.7186 5.94827 8.4312 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 6.65867 4.70443 6.63448 7.7654 5.32257 7.48086 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 5.33546 4.0291 7.43127 10.1201 6.79583 9.76379 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 6.09256 6.79366 7.77089 12.4271 11.0132 9.16718 numMergedOcc 0
9 mol 105 unq 1 iso 0 dist 6.09256 6.79366 7.77089 8.67414 9.96719 7.94633 numMergedOcc 0
10 mol 105 unq 2 iso 0 dist 8.40598 4.59356 7.77089 9.94398 11.0132 9.16718 numMergedOcc 0
11 mol 105 unq 3 iso 0 dist 8.40598 4.59356 7.77089 11.104 9.96719 7.94633 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 9.7113 6.31483 6.34626 8.00624 4.92472 5.51197 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 8.60004 7.59527 8.71789 6.36439 7.51976 8.33439 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.2933 15.7604 8.12266 11.9989 5.63555 6.64173 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.2933 9.35605 9.43306 11.9989 5.63555 9.55105 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 8.77781 9.76508 5.99437 11.9989 7.20191 9.01624 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 8.77781 9.76508 5.99437 10.9766 5.48529 5.05973 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 8.77781 9.35605 8.4848 11.9989 7.20191 9.55105 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 9.60514 5.14649 8.63279 11.2491 9.73871 9.31526 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 7.59757 14.13 9.48625 9.44947 5.86489 7.9133 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 6.84722 4.67513 5.05368 12.6229 10.7174 8.08349 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 6.84722 4.67513 5.05368 13.0626 6.51732 9.78218 numMergedOcc 0
23 mol 229 unq 0 iso 0 dist 8.70049 11.4693 9.37336 13.4233 6.65022 7.27993 numMergedOcc 0
24 mol 229 unq 1 iso 0 dist 8.70049 11.4693 9.37336 13.6079 5.42069 9.51168 numMergedOcc 0
25 mol 229 unq 2 iso 0 dist 8.70049 11.4693 9.37336 15.9876 10.2411 6.95201 numMergedOcc 0
26 mol 229 unq 3 iso 0 dist 9.55385 11.1131 9.37336 12.1268 6.65022 7.27993 numMergedOcc 0
27 mol 229 unq 4 iso 0 dist 9.55385 11.1131 9.37336 14.2393 5.42069 9.51168 numMergedOcc 0
28 mol 229 unq 5 iso 0 dist 9.55385 11.1131 9.37336 16.4957 10.2411 6.95201 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 9.16554 8.8839 6.35532 12.9809 4.60101 9.59325 numMergedOcc 0
30 mol 273 unq 1 iso 0 dist 8.83491 12.7125 5.61969 16.2765 7.81483 6.31969 numMergedOcc 0
31 mol 273 unq 2 iso 0 dist 9.02711 10.8576 5.61969 15.7926 7.81483 6.31969 numMergedOcc 0
32 mol 273 unq 3 iso 0 dist 9.65597 7.90253 6.35532 9.37841 4.60101 9.59325 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 9.35976 13.1828 9.26157 14.8509 6.28695 9.57499 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 9.35976 13.1828 9.26157 9.92831 4.37645 5.46926 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 9.35976 13.1828 9.26157 4.81916 7.70529 8.9682 numMergedOcc 0
