0 mol 12 unq 0 iso 0 dist 8.8993 5.44478 8.27891 7.4036 10.5333 4.40652 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 9.54644 4.10339 13.1554 7.11464 10.4791 6.94144 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.22841 5.97418 9.39417 5.39827 5.3464 9.89377 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 5.74014 5.97418 5.30715 5.39827 6.19026 9.89377 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.69386 7.30392 5.95499 5.44722 10.2358 12.2954 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 9.09269 7.30392 16.2245 5.44722 6.12554 12.2954 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 7.3098 9.52282 7.87498 8.22984 6.8344 10.0156 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 9.66944 5.72494 4.37349 9.61913 4.01954 6.12629 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 9.66944 8.70106 9.29681 9.61913 4.01954 12.2951 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 9.06392 4.81596 11.9038 8.6317 11.2575 6.22139 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 8.60512 8.29174 6.76394 9.62783 5.55502 5.2832 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 6.72322 8.66056 10.0941 7.13199 6.83901 5.97811 numMergedOcc 0
12 mol 158 unq 1 iso 0 dist 6.72322 8.34722 11.799 7.13199 6.83901 7.86938 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 9.44978 9.67207 12.9784 7.27051 13.0014 13.2917 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 9.44978 9.67207 12.9784 7.35424 14.1703 10.3343 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 8.40312 9.0643 8.71174 5.83338 6.73868 6.78245 numMergedOcc 0
16 mol 261 unq 1 iso 0 dist 8.40312 7.4202 5.96556 5.83338 6.73868 5.85813 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 8.07221 7.28238 7.88907 5.94224 6.55115 5.64774 numMergedOcc 0
18 mol 282 unq 1 iso 0 dist 8.07221 7.3389 5.6541 5.94224 6.55115 5.61995 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 7.41633 5.62295 12.6047 5.61727 9.28495 6.50962 numMergedOcc 0
20 mol 284 unq 1 iso 0 dist 5.52837 5.62295 10.936 5.61727 7.85427 6.50962 numMergedOcc 0
21 mol 284 unq 2 iso 0 dist 6.73163 5.62295 10.1049 5.61727 6.50224 6.50962 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.52718 13.0927 13.0167 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.52718 13.0927 13.0167 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.52718 13.0927 13.0167 numMergedOcc 0
