0 mol 8 unq 0 iso 0 dist 7.45487 5.43751 9.62879 7.07501 7.18019 4.36226 9.49106 8.4069 8.96553 8.53529 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.33883 5.45161 6.31718 10.2885 6.93532 10.4366 9.79958 10.8455 7.63133 16.9082 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 14.9821 8.60554 8.52463 10.6042 10.0952 6.86014 7.29868 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 13.0288 8.44664 10.971 10.6042 10.0952 6.86014 16.1126 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.90845 9.59761 8.86116 18.8056 9.44691 13.4893 10.6042 10.0952 6.86014 15.8209 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.74445 14.445 6.20293 10.7304 8.95682 8.38399 13.964 5.06502 5.73819 12.3649 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 9.74445 14.445 6.20293 10.7304 8.95682 8.38399 15.3221 6.45462 8.93915 14.3789 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 6.64072 5.93884 5.78774 12.9335 5.30792 6.86465 9.92355 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.84983 11.5882 6.62496 6.64072 5.93884 5.78774 9.56737 4.81926 6.35756 7.68678 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 9.56737 11.5882 6.35756 6.64072 7.68678 5.78774 12.9335 5.35073 6.86465 9.92355 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 9.56737 11.5882 6.35756 6.64072 7.68678 5.78774 7.84983 4.81926 6.62496 5.93884 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 11.5412 9.24757 5.11416 11.7436 15.7123 9.38498 13.8696 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.89722 10.4716 9.96396 11.5412 9.24757 5.11416 14.4206 12.016 9.75218 13.0145 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 7.26679 8.31041 9.96396 11.2253 9.24757 5.11416 9.68526 15.7123 9.38498 13.8696 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 7.26679 8.31041 9.96396 11.2253 9.24757 5.11416 9.30776 12.016 9.75218 13.0145 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 6.7225 5.39296 5.11551 6.39438 6.92026 6.77806 10.2695 6.5838 7.11972 5.88249 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 4.17212 8.70296 14.2045 19.4361 10.7062 8.40312 18.0058 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 8.97145 14.257 6.85062 4.17212 8.70296 14.2045 14.5129 6.63273 7.12972 12.6227 numMergedOcc 0
18 mol 131 unq 2 iso 0 dist 8.97145 14.257 6.85062 13.6005 9.25558 5.09131 19.4361 10.7062 8.40312 13.44 numMergedOcc 0
19 mol 131 unq 3 iso 0 dist 8.97145 14.257 6.85062 13.6005 9.25558 5.09131 14.5129 6.63273 7.12972 11.586 numMergedOcc 0
20 mol 131 unq 4 iso 0 dist 6.5874 7.60371 6.85062 9.64263 8.70296 14.2045 15.1013 10.7062 8.40312 18.0058 numMergedOcc 0
21 mol 131 unq 5 iso 0 dist 6.5874 7.60371 6.85062 9.64263 8.70296 14.2045 11.4628 6.63273 7.12972 12.6227 numMergedOcc 0
22 mol 131 unq 6 iso 0 dist 6.5874 7.60371 6.85062 5.55307 9.25558 5.09131 15.1013 10.7062 8.40312 13.44 numMergedOcc 0
23 mol 131 unq 7 iso 0 dist 6.5874 7.60371 6.85062 5.55307 9.25558 5.09131 11.4628 6.63273 7.12972 11.586 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 9.48243 11.6637 9.91388 11.7748 9.97654 4.34568 11.0972 6.69554 9.52634 6.66772 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 9.48243 11.6637 9.91388 11.7748 9.97654 4.34568 14.1743 6.761 7.24514 7.71248 numMergedOcc 0
26 mol 133 unq 2 iso 0 dist 6.11955 7.96098 6.80239 4.7146 5.87634 4.54648 10.4171 7.81217 6.29155 6.16242 numMergedOcc 0
27 mol 133 unq 3 iso 0 dist 6.11955 7.96098 6.80239 4.7146 5.87634 4.54648 11.5405 7.79672 8.00618 10.9061 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.78849 11.454 9.89303 4.15314 5.83771 7.41674 11.4625 5.79898 6.54501 7.80532 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 7.30021 5.75141 8.94056 9.69888 9.4013 6.13574 10.6034 10.1658 7.66148 11.1147 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 7.44191 9.60754 8.03334 6.70394 6.46704 4.43096 18.07 13.2049 9.1374 12.4878 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 7.44191 9.60754 8.03334 11.2787 6.59025 8.04639 18.07 13.2049 9.1374 10.6908 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 6.00053 11.1879 8.03334 10.8517 6.46704 4.43096 16.1735 13.2049 9.1374 12.4878 numMergedOcc 0
33 mol 181 unq 3 iso 0 dist 6.00053 11.1879 8.03334 5.87168 6.59025 8.04639 16.1735 13.2049 9.1374 10.6908 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 9.8711 4.90657 9.23153 4.39102 6.59716 7.11498 12.6756 10.5449 8.24498 13.1498 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 16.3489 7.43071 6.35849 13.0242 4.39704 7.09863 6.02296 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 5.75236 5.41321 10.9607 13.0242 4.39704 7.09863 9.74265 numMergedOcc 0
37 mol 227 unq 2 iso 0 dist 9.64299 7.69739 7.09863 9.17153 6.02296 6.35849 12.7101 4.39704 7.22101 7.43071 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 10.8309 8.66332 6.65022 10.7645 5.57838 7.03423 11.1976 numMergedOcc 0
39 mol 231 unq 0 iso 0 dist 7.79865 5.3251 7.37839 7.00432 6.98875 6.37275 6.14348 4.06055 8.40182 6.54852 numMergedOcc 0
40 mol 231 unq 1 iso 0 dist 6.14348 5.3251 8.40182 7.00432 6.54852 6.37275 7.79865 4.06055 7.37839 6.98875 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 10.9643 7.08526 8.81835 13.8509 6.96053 7.88519 7.98231 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 7.93997 14.8465 7.46176 10.9643 7.08526 8.81835 14.9816 7.64658 7.84554 11.6972 numMergedOcc 0
43 mol 259 unq 2 iso 0 dist 7.93997 14.8465 7.46176 10.9643 7.08526 8.81835 17.3348 10.5239 9.18903 15.8414 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 6.75305 10.0289 6.24356 6.28052 5.93616 7.52936 16.8589 10.3202 9.361 13.2142 numMergedOcc 0
