0 mol 6 unq 0 iso 0 dist 6.8041 4.82562 6.94663 5.80027 10.9178 4.76488 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 8.37816 4.07334 5.48483 11.0522 12.4014 8.61124 numMergedOcc 0
2 mol 37 unq 1 iso 0 dist 8.37816 4.07334 5.48483 5.60174 10.4197 5.1625 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 4.5673 6.87036 3.61653 5.59308 6.01423 8.50375 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.8073 7.49794 13.357 4.09894 9.8428 7.08628 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 6.42242 5.43913 10.8889 4.16088 9.56852 7.03832 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 6.42242 8.26877 13.697 4.16088 9.56852 7.16443 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 5.60663 7.49794 6.34854 4.09894 8.58829 7.08628 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 7.99438 6.65972 10.2709 13.7118 18.0616 9.11491 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 7.99438 4.2253 6.1647 5.79235 9.87027 5.82384 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 7.99438 4.2253 6.1647 8.29654 12.8993 7.15907 numMergedOcc 0
11 mol 79 unq 3 iso 0 dist 6.64915 6.65972 9.87964 13.7118 16.0562 9.11491 numMergedOcc 0
12 mol 79 unq 4 iso 0 dist 6.64915 4.2253 4.31939 5.79235 5.9249 5.82384 numMergedOcc 0
13 mol 79 unq 5 iso 0 dist 6.64915 4.2253 4.31939 8.29654 9.26568 7.15907 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 12.8729 6.05495 5.61151 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 9.18097 8.49887 7.66499 12.8729 6.05495 6.54289 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 9.18097 8.49887 7.66499 14.5743 12.216 7.52869 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 9.18097 8.49887 7.66499 13.0766 10.5858 9.18945 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 8.83135 9.43839 5.22259 3.97167 6.05495 5.61151 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 6.15654 6.61645 3.87825 6.3678 6.72712 5.32369 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 6.15654 6.61645 3.87825 7.31722 5.39745 7.03417 numMergedOcc 0
21 mol 92 unq 2 iso 0 dist 7.89887 6.61645 8.8033 6.3678 12.1654 5.32369 numMergedOcc 0
22 mol 92 unq 3 iso 0 dist 7.89887 6.61645 8.8033 7.31722 10.8154 7.03417 numMergedOcc 0
23 mol 114 unq 0 iso 0 dist 4.86767 7.4113 3.67473 5.27861 6.13559 8.61909 numMergedOcc 0
24 mol 114 unq 1 iso 0 dist 4.86767 7.4113 3.67473 12.5418 9.52562 5.96977 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 8.46376 9.57243 3.84623 6.55605 5.52683 6.40751 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 8.49831 8.09561 5.83776 5.02895 11.4982 9.70169 numMergedOcc 0
27 mol 165 unq 0 iso 0 dist 5.79029 5.93144 6.57937 9.75493 13.9878 9.74517 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 8.82861 6.46946 8.56684 11.695 11.641 9.58537 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 9.23676 8.77524 3.85186 5.64245 7.10526 4.51124 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 8.89981 5.19729 8.82573 6.50683 13.6036 6.16848 numMergedOcc 0
31 mol 239 unq 1 iso 0 dist 9.85821 8.99104 14.7528 6.59614 14.6314 5.50017 numMergedOcc 0
32 mol 239 unq 2 iso 0 dist 9.85821 8.99104 14.7528 14.2646 20.4918 9.99181 numMergedOcc 0
33 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 6.69832 8.94909 6.59989 numMergedOcc 0
34 mol 256 unq 0 iso 0 dist 9.65136 6.33954 5.59732 5.34142 7.48269 5.85613 numMergedOcc 0
35 mol 285 unq 0 iso 0 dist 6.46935 4.95596 9.60745 8.9423 12.9257 6.01404 numMergedOcc 0
36 mol 292 unq 0 iso 0 dist 8.67838 9.29687 4.30125 9.01459 5.7131 3.93401 numMergedOcc 0
