0 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 8.53529 4.36226 5.65816 8.4069 9.62879 10.6335 7.18019 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.54938 6.92532 5.18512 7.75618 9.74255 13.9675 7.67038 8.4674 10.1882 8.40416 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 6.92532 5.18512 7.75618 9.74255 13.9675 5.03957 7.82074 6.36455 12.3215 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.864 6.92532 9.47529 7.75618 7.08342 13.9675 7.67038 4.51865 10.1882 8.40416 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 8.60554 8.52463 6.99746 10.0952 6.86014 10.7114 7.29868 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 8.44664 10.971 7.6844 10.0952 6.86014 10.7114 16.1126 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.86116 6.72502 6.58998 9.44691 13.4893 7.05541 10.0952 6.86014 10.7114 15.8209 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 9.41441 14.012 11.9395 6.44287 8.38394 9.0934 15.392 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 8.70827 5.59311 9.75636 12.3067 7.36323 9.24958 9.12854 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 12.3067 7.36323 9.24958 18.673 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 7.36323 9.24958 4.33963 9.12854 5.59311 9.75636 12.3067 5.54419 4.93188 8.70827 numMergedOcc 0
11 mol 60 unq 0 iso 0 dist 8.7531 7.55695 9.62257 9.90939 7.04075 4.82351 7.29309 8.33063 9.96399 10.5084 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 8.7531 7.55695 9.62257 9.90939 7.04075 4.82351 5.67502 6.43294 10.0962 10.1323 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 6.19965 7.33422 7.91778 7.54568 8.09967 6.85215 5.42586 7.97049 12.3486 10.0796 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.66905 7.33422 10.121 7.54568 4.65335 6.85215 5.42586 7.47541 12.3486 10.0796 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 7.66905 7.33422 10.121 7.54568 4.65335 6.85215 10.1164 5.73196 14.9249 9.39864 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 7.47343 9.00544 14.9392 7.38135 11.2312 5.46256 8.8807 6.65086 17.8663 15.4031 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 7.47343 9.00544 14.9392 7.38135 11.2312 5.46256 12.6515 6.56369 20.2183 17.2419 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 7.47343 9.00544 14.9392 7.38135 11.2312 5.46256 13.887 9.30209 22.6977 19.8941 numMergedOcc 0
19 mol 100 unq 3 iso 0 dist 7.47343 7.12017 12.6602 7.38135 11.2312 9.38256 8.8807 6.65086 12.6061 15.4031 numMergedOcc 0
20 mol 100 unq 4 iso 0 dist 7.47343 7.12017 12.6602 7.38135 11.2312 9.38256 12.6515 6.56369 18.4011 17.2419 numMergedOcc 0
21 mol 100 unq 5 iso 0 dist 7.47343 7.12017 12.6602 7.38135 11.2312 9.38256 13.887 9.30209 17.8494 19.8941 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 9.36851 10.7293 6.84211 9.05135 9.61051 15.3413 16.0242 numMergedOcc 0
23 mol 129 unq 1 iso 0 dist 5.83384 8.03372 6.67948 4.97175 7.29399 4.53459 9.05135 9.61051 15.3413 13.4182 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.70296 14.2045 10.8127 10.7062 8.40312 11.4206 18.0058 numMergedOcc 0
25 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 8.70296 14.2045 10.8127 6.63273 7.12972 6.92648 12.6227 numMergedOcc 0
26 mol 131 unq 2 iso 0 dist 6.85062 9.29384 9.32969 9.25558 5.09131 11.2516 10.7062 8.40312 11.4206 13.44 numMergedOcc 0
27 mol 131 unq 3 iso 0 dist 6.85062 9.29384 9.32969 9.25558 5.09131 11.2516 6.63273 7.12972 6.92648 11.586 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.29155 6.76699 5.74088 6.16242 4.54648 9.34112 7.81217 6.80239 11.1595 5.87634 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 6.29155 6.76699 5.74088 6.16242 4.54648 9.34112 11.965 8.00618 10.5656 10.9061 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 6.54501 5.53031 5.35679 7.80532 7.41674 8.98004 5.79898 9.89303 10.0513 5.83771 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 6.49416 5.53031 8.46636 7.80532 9.87376 8.98004 8.80819 8.94367 13.9396 10.5252 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 6.49416 5.53031 8.46636 7.80532 9.87376 8.98004 5.00817 6.37586 10.1537 10.7586 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 8.90963 8.91338 13.0913 13.2049 8.03334 15.2991 16.082 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 5.98885 6.51749 5.93488 8.90963 9.81073 13.0913 10.1912 9.09537 7.20392 18.0578 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 8.73217 11.7429 11.8992 13.8792 9.70748 18.0414 17.7621 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 7.54065 7.20574 8.90184 8.73217 11.7429 11.8992 5.74635 8.87694 6.85302 14.2425 numMergedOcc 0
37 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 5.44002 10.3603 8.46033 7.38516 6.03031 8.44861 12.3113 numMergedOcc 0
38 mol 205 unq 1 iso 0 dist 7.26832 5.60393 5.28092 5.44002 10.3603 8.46033 13.8543 7.80463 11.3521 17.9798 numMergedOcc 0
39 mol 206 unq 0 iso 0 dist 9.774 8.70977 9.9412 7.75885 6.45859 10.7023 5.63422 7.7366 12.3357 6.16414 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 7.22101 8.03442 10.5813 7.43071 6.35849 12.8075 4.39704 7.09863 12.2278 6.02296 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 7.22101 8.03442 10.5813 5.41321 10.9607 4.59123 4.39704 7.09863 12.2278 9.74265 numMergedOcc 0
42 mol 234 unq 0 iso 0 dist 6.56247 8.24186 5.63086 9.81425 4.46561 9.68666 5.88703 9.45496 7.5366 13.293 numMergedOcc 0
43 mol 234 unq 1 iso 0 dist 9.36357 8.24186 5.6819 9.81425 10.641 9.68666 5.88703 6.7625 7.5366 13.293 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 6.60405 6.70815 7.42673 7.21311 5.63675 8.10604 7.26417 6.42289 7.99477 11.2102 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 7.08526 8.81835 6.31909 6.96053 7.88519 10.5803 7.98231 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 7.08526 8.81835 6.31909 7.64658 7.84554 12.4037 11.6972 numMergedOcc 0
47 mol 259 unq 2 iso 0 dist 7.46176 8.55558 5.60748 7.08526 8.81835 6.31909 10.5239 9.18903 14.4498 15.8414 numMergedOcc 0
