0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 12.916 12.0193 5.99972 7.8893 11.659 5.13353 9.68006 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.83658 10.826 9.60499 9.89388 6.55304 6.7985 7.49389 10.6581 9.0379 9.68596 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.04834 6.05535 4.7319 5.36911 6.51133 6.72833 5.72175 11.6856 10.4852 6.93532 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 8.17898 5.72175 5.05803 5.36911 5.30082 6.93532 6.05535 11.0958 10.4852 6.72833 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 10.7145 6.01808 6.41575 14.1708 11.0366 5.80928 6.41423 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.18518 14.1404 8.4674 12.8718 9.74255 8.40416 6.57145 4.54938 7.67038 7.75618 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 8.18518 6.57145 4.54938 12.8718 9.74255 7.75618 14.1404 8.4674 7.67038 8.40416 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 13.4332 6.66749 9.41441 17.3093 11.0194 11.4989 6.73939 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.35095 5.76725 5.54419 9.89331 5.11617 8.4051 15.591 11.0194 15.5315 7.29868 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 6.35095 5.76725 5.54419 9.89331 5.11617 8.4051 17.7689 13.2433 14.6259 8.60554 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.35095 5.76725 5.54419 14.084 10.8238 8.75662 17.7689 13.2433 14.6259 9.44691 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 5.87895 5.75653 7.36323 14.0475 13.2229 8.4051 21.2556 20.3888 15.5315 7.29868 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 5.87895 5.75653 7.36323 14.0475 13.2229 8.4051 19.0836 15.5296 14.6259 8.60554 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 5.87895 5.75653 7.36323 11.0714 6.7828 8.75662 19.0836 15.5296 14.6259 9.44691 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 11.6867 5.77929 8.87757 15.8887 12.7009 15.5644 8.50222 numMergedOcc 0
15 mol 25 unq 1 iso 0 dist 8.23292 12.4427 5.04899 11.6867 5.77929 8.87757 16.0361 12.8117 16.1048 7.55264 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 9.22376 3.85308 7.66905 9.04728 4.65335 7.54568 9.77828 5.73196 10.1164 9.39864 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 9.22376 9.77828 5.73196 9.04728 4.65335 9.39864 3.85308 7.66905 10.1164 7.54568 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.35604 5.3967 5.11551 11.0607 6.77806 6.92026 11.9798 7.11972 6.5838 5.88249 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 8.35604 5.3967 5.11551 11.0607 6.77806 6.92026 15.5225 11.8863 10.5564 6.97707 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 8.35604 11.9798 7.11972 11.0607 6.77806 5.88249 5.3967 5.11551 6.5838 6.92026 numMergedOcc 0
21 mol 115 unq 3 iso 0 dist 8.35604 11.9798 7.11972 11.0607 6.77806 5.88249 15.5225 11.8863 5.67807 6.97707 numMergedOcc 0
22 mol 115 unq 4 iso 0 dist 7.83568 7.10772 5.11551 13.3321 6.77806 6.92026 11.3906 7.11972 6.5838 5.88249 numMergedOcc 0
23 mol 115 unq 5 iso 0 dist 7.83568 7.10772 5.11551 13.3321 6.77806 6.92026 16.5877 11.8863 10.5564 6.97707 numMergedOcc 0
24 mol 115 unq 6 iso 0 dist 7.83568 11.3906 7.11972 13.3321 6.77806 5.88249 7.10772 5.11551 6.5838 6.92026 numMergedOcc 0
25 mol 115 unq 7 iso 0 dist 7.83568 11.3906 7.11972 13.3321 6.77806 5.88249 16.5877 11.8863 5.67807 6.97707 numMergedOcc 0
26 mol 125 unq 0 iso 0 dist 9.63302 6.06241 8.62381 7.00113 7.43922 7.73435 5.759 12.7528 5.20403 8.76789 numMergedOcc 0
27 mol 125 unq 1 iso 0 dist 9.63302 6.06241 8.62381 9.85979 11.0769 9.3778 5.759 12.7528 5.20403 9.08382 numMergedOcc 0
28 mol 125 unq 2 iso 0 dist 9.63302 6.06241 8.62381 9.85979 11.0769 9.3778 13.5623 17.1992 11.8325 7.47069 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 10.8422 5.29786 6.23142 12.5576 9.5126 5.00526 7.69991 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 10.8422 5.29786 6.23142 12.4156 9.71307 6.81259 9.94764 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 10.8422 5.29786 9.94764 12.5576 9.5126 11.3271 7.69991 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 5.67862 12.4156 9.71307 10.8422 5.29786 9.94764 9.52819 6.37586 6.81259 6.23142 numMergedOcc 0
33 mol 134 unq 4 iso 0 dist 7.97208 12.5576 6.54501 10.8422 5.71679 7.69991 9.52819 6.49416 5.00526 6.23142 numMergedOcc 0
34 mol 134 unq 5 iso 0 dist 7.97208 12.5576 6.54501 10.8422 5.71679 7.69991 12.4156 12.5075 11.3271 9.94764 numMergedOcc 0
35 mol 134 unq 6 iso 0 dist 7.97208 9.52819 6.49416 10.8422 5.71679 6.23142 12.5576 6.54501 5.00526 7.69991 numMergedOcc 0
36 mol 134 unq 7 iso 0 dist 7.97208 9.52819 6.49416 10.8422 5.71679 6.23142 12.4156 12.5075 6.81259 9.94764 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 9.07833 9.54619 9.09537 15.4694 10.09 7.99195 18.2553 15.0228 8.88798 6.2479 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 9.07833 9.54619 9.09537 15.4694 10.09 7.99195 20.7649 16.2058 12.6324 6.22122 numMergedOcc 0
39 mol 231 unq 0 iso 0 dist 9.98232 10.9863 7.37839 13.7652 6.37275 6.98875 10.2117 8.40182 4.06055 6.54852 numMergedOcc 0
40 mol 231 unq 1 iso 0 dist 9.98232 10.2117 8.40182 13.7652 6.37275 6.54852 10.9863 7.37839 4.06055 6.98875 numMergedOcc 0
41 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 9.78197 4.9377 9.40808 11.3868 10.5803 6.56633 8.50102 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 7.98022 6.3873 5.72887 12.3944 14.7883 9.24557 14.5093 13.5431 10.0191 7.57812 numMergedOcc 0
