0 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 10.4413 6.20293 14.445 12.0618 5.06502 13.964 5.73819 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.06275 5.71662 9.74445 10.4413 6.20293 14.445 14.4184 6.45462 15.3221 8.93915 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.90024 18.5048 9.74445 5.84171 6.20293 14.445 6.84521 5.06502 13.964 5.73819 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.90024 18.5048 9.74445 5.84171 6.20293 14.445 6.78532 6.45462 15.3221 8.93915 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.81637 4.95437 7.84983 11.9429 6.62496 11.5882 14.9123 5.30792 12.9335 6.86465 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 9.81637 4.95437 7.84983 11.9429 6.62496 11.5882 12.4928 4.81926 9.56737 6.35756 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.23803 5.20171 9.74643 6.32175 8.58044 5.5332 11.1563 7 8.21889 7.34473 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 9.23803 5.20171 9.74643 6.32175 8.58044 5.5332 8.05028 6.94915 6.86702 9.97763 numMergedOcc 0
8 mol 109 unq 2 iso 0 dist 8.05028 5.20171 6.86702 6.32175 9.97763 5.5332 11.1563 8.40993 8.21889 7.34473 numMergedOcc 0
9 mol 109 unq 3 iso 0 dist 8.05028 5.20171 6.86702 6.32175 9.97763 5.5332 9.23803 6.94915 9.74643 8.58044 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.50575 9.78923 6.7225 6.68557 5.11551 5.39296 12.88 6.5838 10.2695 7.11972 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 8.43116 7.46653 6.7225 4.96719 5.11551 5.39296 6.23645 6.5838 10.2695 7.11972 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.5055 7.43569 9.4473 10.9541 8.22656 15.4455 13.494 6.65743 15.6584 7.24514 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 4.68975 8.95641 7.78849 9.30817 9.89303 11.454 4.9155 5.79898 11.4625 6.54501 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 8.86346 7.25495 7.57458 16.7609 9.2313 13.1936 13.95 5.32922 10.5524 5.31024 numMergedOcc 0
15 mol 142 unq 1 iso 0 dist 8.86346 7.25495 7.57458 13.5268 7.73169 12.288 13.95 5.32922 10.5524 7.26382 numMergedOcc 0
16 mol 142 unq 2 iso 0 dist 4.93681 5.20379 7.57458 12.8283 9.2313 13.1936 9.86383 5.32922 10.5524 5.31024 numMergedOcc 0
17 mol 142 unq 3 iso 0 dist 4.93681 5.20379 7.57458 10.1677 7.73169 12.288 9.86383 5.32922 10.5524 7.26382 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 10.5295 6.70283 13.9994 12.6531 5.42328 13.6844 5.87555 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 8.34839 5.80854 9.10619 10.5295 6.70283 13.9994 14.5994 6.4896 15.1988 8.67331 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 8.34839 5.80854 9.10619 10.7929 7.16148 14.2552 12.6531 5.42328 13.6844 8.87437 numMergedOcc 0
21 mol 152 unq 3 iso 0 dist 8.34839 5.80854 9.10619 10.7929 7.16148 14.2552 14.5994 6.4896 15.1988 8.05741 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.74465 5.02351 7.44191 8.42326 8.03334 9.60754 17.2412 13.2049 18.07 9.1374 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 9.74465 12.774 6.00053 8.42326 8.03334 11.1879 17.2412 13.2049 16.1735 9.1374 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 6.32302 5.47886 9.84492 6.52416 8.22528 11.9226 6.88694 5.57838 10.7645 7.03423 numMergedOcc 0
25 mol 229 unq 1 iso 0 dist 8.53615 14.8014 9.84492 6.81165 8.22528 11.9226 11.0334 5.57838 10.7645 7.03423 numMergedOcc 0
