0 mol 7 unq 0 iso 0 dist 6.22892 15.5737 9.68596 14.422 9.0379 6.7985 16.6592 10.6581 6.55304 9.60499 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.83658 4.91115 6.02702 13.5317 11.8172 8.72114 18.6679 18.3807 13.8829 7.10621 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.22805 13.6771 8.72114 16.6563 11.8172 6.02702 17.302 11.0773 8.43473 9.60499 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 8.84153 12.7224 7.47858 16.5432 10.6922 6.62144 15.8525 11.8757 5.39089 4.86568 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.18518 10.5195 6.41575 12.9091 5.80928 6.41423 14.1404 8.4674 4.64838 4.51865 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.18518 10.5195 6.41575 12.9091 5.80928 6.41423 6.57145 4.54938 4.97119 6.864 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.85331 12.8157 7.29868 21.1799 15.5315 8.4051 17.3093 11.0194 5.11617 5.54419 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.85331 12.8157 7.29868 21.1799 15.5315 8.4051 24.6292 20.3888 13.2229 7.36323 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.85331 12.8157 7.29868 10.4452 10.0952 8.60554 9.20254 6.86014 8.52463 8.86116 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 6.85331 12.8157 7.29868 10.4452 10.0952 8.60554 12.3729 12.5077 12.3994 8.38394 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 6.35095 8.7316 8.70827 12.4687 12.3067 9.12854 5.76725 5.54419 5.59311 7.36323 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 6.35095 10.9987 6.73939 17.6 11.4989 9.41441 15.591 11.0194 6.66749 6.86014 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 6.35095 10.9987 6.73939 17.6 11.4989 9.41441 17.7689 13.2433 14.012 8.86116 numMergedOcc 0
13 mol 24 unq 7 iso 0 dist 5.87895 5.076 9.12854 11.0381 12.3067 8.70827 5.75653 7.36323 5.59311 5.54419 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 8.23292 14.4951 7.45383 17.4517 10.9391 6.16347 15.8887 12.7009 9.34396 7.57578 numMergedOcc 0
15 mol 25 unq 1 iso 0 dist 8.23292 14.4951 7.45383 17.4517 10.9391 6.16347 16.0361 12.8117 10.8498 7.17969 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 7.15203 5.86611 7.71248 12.6562 6.761 9.97654 5.38237 7.24514 4.34568 9.91388 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 7.15203 5.86611 7.71248 10.7939 7.6656 6.66772 12.9335 12.0352 7.12976 6.5107 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 7.15203 5.86611 7.71248 10.7939 7.6656 6.66772 5.38237 7.24514 4.34568 9.52634 numMergedOcc 0
19 mol 133 unq 3 iso 0 dist 9.89098 11.7971 9.97654 13.5771 6.69554 6.66772 11.5564 9.66421 7.12976 6.5107 numMergedOcc 0
20 mol 133 unq 4 iso 0 dist 9.89098 11.7971 9.97654 13.5771 6.69554 6.66772 8.96845 9.91388 4.34568 9.52634 numMergedOcc 0
21 mol 133 unq 5 iso 0 dist 9.89098 11.7971 9.97654 12.2343 6.761 7.71248 8.96845 9.91388 4.34568 7.24514 numMergedOcc 0
22 mol 133 unq 6 iso 0 dist 9.89098 11.7971 9.97654 12.2343 6.761 7.71248 7.11894 10.0372 10.6025 8.22656 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 7.97208 15.4716 7.80532 11.8406 5.79898 5.83771 12.5576 6.54501 7.41674 9.89303 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.63295 5.39949 6.41453 13.3844 8.85576 9.39829 12.5935 7.63312 7.20191 7.81386 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 7.10166 14.2366 7.75885 11.1422 5.63422 6.16414 13.609 9.774 6.45859 7.7366 numMergedOcc 0
26 mol 206 unq 1 iso 0 dist 8.73396 11.3915 6.16414 11.7176 5.63422 7.75885 10.8278 11.1804 12.7604 8.02137 numMergedOcc 0
27 mol 206 unq 2 iso 0 dist 8.73396 11.3915 6.16414 11.7176 5.63422 7.75885 6.35321 7.7366 6.45859 9.774 numMergedOcc 0
28 mol 206 unq 3 iso 0 dist 9.66896 5.91675 7.75885 10.4092 5.63422 6.16414 12.0196 9.774 6.45859 7.7366 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 7.46199 7.71103 9.96262 13.0768 10.7374 7.21311 13.2928 14.3043 5.63675 6.60405 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 6.96379 7.39099 7.98231 11.1532 6.96053 7.08526 12.7595 7.88519 8.81835 7.46176 numMergedOcc 0
