0 mol 2 unq 0 iso 0 dist 9.33282 8.5893 16.8591 9.21959 18.1247 5.88525 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.33282 8.29974 13.8955 9.21959 18.1247 8.73586 numMergedOcc 0
2 mol 2 unq 2 iso 0 dist 6.52386 5.88525 5.16393 9.21959 13.2478 8.5893 numMergedOcc 0
3 mol 2 unq 3 iso 0 dist 6.52386 8.73586 9.90307 9.21959 13.2478 8.29974 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 8.69158 8.3189 9.63015 5.7372 11.5897 5.02965 numMergedOcc 0
5 mol 27 unq 1 iso 0 dist 8.69158 8.3189 9.63015 4.59871 10.7968 7.49305 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 6.55004 9.25264 6.31825 14.6805 11.4966 8.79457 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 7.80113 8.79457 12.5581 14.6805 19.2759 9.25264 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.75212 8.66256 10.2509 3.69443 11.2186 6.84082 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 9.75212 8.66256 10.2509 9.0891 14.8762 8.08194 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 9.75212 8.66256 10.2509 9.79343 10.1878 9.89622 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.21256 4.80778 5.57013 5.01776 8.3243 6.58803 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.21256 4.80778 5.57013 11.3944 8.95239 9.96967 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 9.21256 4.80778 5.57013 10.5425 6.23615 6.31523 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 8.3243 6.58803 5.57013 5.01776 9.21256 4.80778 numMergedOcc 0
15 mol 133 unq 4 iso 0 dist 8.3243 6.58803 5.57013 7.3347 8.95239 9.96967 numMergedOcc 0
16 mol 133 unq 5 iso 0 dist 8.3243 6.58803 5.57013 12.3753 6.23615 6.31523 numMergedOcc 0
17 mol 133 unq 6 iso 0 dist 8.95239 9.96967 5.57013 11.3944 9.21256 4.80778 numMergedOcc 0
18 mol 133 unq 7 iso 0 dist 8.95239 9.96967 5.57013 7.3347 8.3243 6.58803 numMergedOcc 0
19 mol 133 unq 8 iso 0 dist 8.95239 9.96967 5.57013 14.0664 6.23615 6.31523 numMergedOcc 0
20 mol 133 unq 9 iso 0 dist 6.23615 6.31523 5.57013 10.5425 9.21256 4.80778 numMergedOcc 0
21 mol 133 unq 10 iso 0 dist 6.23615 6.31523 5.57013 12.3753 8.3243 6.58803 numMergedOcc 0
22 mol 133 unq 11 iso 0 dist 6.23615 6.31523 5.57013 14.0664 8.95239 9.96967 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 6.32669 6.18881 3.79724 10.9947 12.3961 9.35927 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 5.46716 8.58421 3.88898 11.6429 11.1335 9.32503 numMergedOcc 0
25 mol 151 unq 0 iso 0 dist 5.89907 5.11555 4.53999 6.91746 11.5399 8.13302 numMergedOcc 0
26 mol 151 unq 1 iso 0 dist 5.89907 5.11555 4.53999 9.66427 10.0709 8.29457 numMergedOcc 0
27 mol 151 unq 2 iso 0 dist 5.89907 8.8107 7.42696 6.91746 11.5399 9.42062 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 7.0795 9.28645 9.12029 3.3846 9.76251 8.9785 numMergedOcc 0
29 mol 225 unq 1 iso 0 dist 9.76251 8.9785 9.12029 3.3846 7.0795 9.28645 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 7.99525 6.69874 10.7725 8.69427 16.1465 9.62797 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 7.99525 6.69874 10.7725 4.19978 9.20965 5.40264 numMergedOcc 0
32 mol 232 unq 2 iso 0 dist 7.99525 6.69874 10.7725 9.33666 12.3473 7.91491 numMergedOcc 0
33 mol 232 unq 3 iso 0 dist 9.20965 5.40264 10.7725 10.4504 16.1465 9.62797 numMergedOcc 0
34 mol 232 unq 4 iso 0 dist 9.20965 5.40264 10.7725 4.19978 7.99525 6.69874 numMergedOcc 0
35 mol 232 unq 5 iso 0 dist 9.20965 5.40264 10.7725 5.14994 12.3473 7.91491 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 8.22353 8.06252 5.87866 5.97995 10.3071 6.21022 numMergedOcc 0
37 mol 266 unq 0 iso 0 dist 9.33447 7.01175 9.68248 6.47501 3.90274 7.50074 numMergedOcc 0
38 mol 266 unq 1 iso 0 dist 3.90274 7.50074 9.68248 6.47501 9.33447 7.01175 numMergedOcc 0
39 mol 266 unq 2 iso 0 dist 7.49024 7.50074 5.36855 6.47501 10.4329 7.01175 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 8.92332 9.61379 17.363 13.4368 22.3536 9.23149 numMergedOcc 0
