0 mol 6 unq 0 iso 0 dist 6.8041 4.82562 6.94663 5.80027 10.9178 4.76488 7.33688 9.5447 9.07564 8.62458 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 8.37816 4.07334 5.48483 11.0522 12.4014 8.61124 10.9062 14.1405 9.59073 3.88248 numMergedOcc 0
2 mol 37 unq 1 iso 0 dist 8.37816 4.07334 5.48483 5.60174 10.4197 5.1625 10.9062 14.1405 9.59073 6.78844 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.8073 7.49794 13.357 4.09894 9.8428 7.08628 11.3706 16.0533 7.70645 8.51227 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.42242 8.26877 13.697 4.16088 9.56852 7.16443 12.0497 16.2743 7.78689 8.78858 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 5.60663 7.49794 6.34854 4.09894 8.58829 7.08628 11.3706 12.7381 7.70645 8.51227 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.99438 6.65972 10.2709 13.7118 18.0616 9.11491 11.5374 16.9526 9.04293 4.1859 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 7.99438 6.65972 10.2709 13.7118 18.0616 9.11491 5.21981 10.8539 4.78333 8.68431 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 7.99438 4.2253 6.1647 5.79235 9.87027 5.82384 5.21981 10.8539 4.74254 6.19285 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 7.99438 4.2253 6.1647 8.29654 12.8993 7.15907 5.21981 10.8539 4.74254 4.47084 numMergedOcc 0
10 mol 79 unq 4 iso 0 dist 6.64915 6.65972 9.87964 13.7118 16.0562 9.11491 11.5374 14.2209 9.04293 4.1859 numMergedOcc 0
11 mol 79 unq 5 iso 0 dist 6.64915 6.65972 9.87964 13.7118 16.0562 9.11491 5.21981 8.50427 4.78333 8.68431 numMergedOcc 0
12 mol 79 unq 6 iso 0 dist 6.64915 4.2253 4.31939 5.79235 5.9249 5.82384 5.21981 8.50427 4.74254 6.19285 numMergedOcc 0
13 mol 79 unq 7 iso 0 dist 6.64915 4.2253 4.31939 8.29654 9.26568 7.15907 5.21981 8.50427 4.74254 4.47084 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 12.8729 6.05495 5.61151 8.08787 5.05893 4.29937 7.2898 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 9.18097 7.51319 5.22259 12.8729 6.05495 5.61151 10.4844 5.71866 3.65628 4.13305 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 9.18097 7.51319 5.22259 12.8729 6.05495 5.61151 16.4231 11.3323 9.77774 6.42723 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 9.18097 8.49887 7.66499 12.8729 6.05495 6.54289 8.08787 5.05893 5.37869 7.2898 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 9.18097 8.49887 7.66499 12.8729 6.05495 6.54289 10.4844 5.71866 4.05415 4.13305 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 9.18097 8.49887 7.66499 12.8729 6.05495 6.54289 16.4231 11.3323 9.97944 6.42723 numMergedOcc 0
20 mol 85 unq 6 iso 0 dist 9.18097 8.49887 7.66499 14.5743 12.216 7.52869 8.08787 5.05893 5.37869 8.37735 numMergedOcc 0
21 mol 85 unq 7 iso 0 dist 9.18097 8.49887 7.66499 14.5743 12.216 7.52869 10.4844 5.71866 4.05415 6.66973 numMergedOcc 0
22 mol 85 unq 8 iso 0 dist 9.18097 8.49887 7.66499 14.5743 12.216 7.52869 16.4231 11.3323 9.97944 13.5088 numMergedOcc 0
23 mol 85 unq 9 iso 0 dist 9.18097 8.49887 7.66499 13.0766 10.5858 9.18945 8.08787 5.05893 5.37869 6.17924 numMergedOcc 0
24 mol 85 unq 10 iso 0 dist 9.18097 8.49887 7.66499 13.0766 10.5858 9.18945 10.4844 5.71866 4.05415 7.15173 numMergedOcc 0
25 mol 85 unq 11 iso 0 dist 9.18097 8.49887 7.66499 13.0766 10.5858 9.18945 16.4231 11.3323 9.97944 16.574 numMergedOcc 0
26 mol 85 unq 12 iso 0 dist 8.83135 9.43839 5.22259 3.97167 6.05495 5.61151 11.053 5.05893 4.29937 7.2898 numMergedOcc 0
27 mol 85 unq 13 iso 0 dist 8.83135 9.43839 5.22259 3.97167 6.05495 5.61151 7.97629 5.71866 3.65628 4.13305 numMergedOcc 0
28 mol 85 unq 14 iso 0 dist 8.83135 9.43839 5.22259 3.97167 6.05495 5.61151 5.46713 11.3323 9.77774 6.42723 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 8.49831 8.09561 5.83776 5.02895 11.4982 9.70169 14.2685 12.8145 8.60651 12.5388 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 9.23676 8.77524 3.85186 5.64245 7.10526 4.51124 5.9943 9.94968 7.33774 4.08137 numMergedOcc 0
31 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 6.69832 8.94909 6.59989 8.2786 13.3341 5.6417 5.91806 numMergedOcc 0
32 mol 254 unq 1 iso 0 dist 7.28781 9.84028 11.9238 6.69832 8.94909 6.59989 5.20737 11.1806 7.42831 5.04088 numMergedOcc 0
33 mol 285 unq 0 iso 0 dist 6.46935 4.95596 9.60745 8.9423 12.9257 6.01404 5.62841 11.1524 4.27826 4.3249 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.67838 9.29687 4.30125 9.01459 5.7131 3.93401 14.3247 8.6233 9.21469 6.87619 numMergedOcc 0
