0 mol 0 unq 0 iso 0 dist 7.79297 11.9798 8.82102 4.16512 6.91778 10.9859 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.68517 10.1407 8.47315 5.1333 6.72833 12.1062 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 5.33298 8.95682 10.7304 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.90024 18.5048 9.74445 13.2914 8.95682 10.7304 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.72872 10.3388 5.38191 9.96083 7.07339 5.33825 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.72872 10.3388 5.38191 7.03665 7.23317 6.51649 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.81637 4.95437 7.84983 6.18332 5.93884 6.64072 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 6.92837 5.74577 9.57969 6.56303 9.97775 8.91076 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.96446 14.2688 7.86724 15.5614 8.18107 6.04547 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.96446 14.2688 7.86724 8.51558 5.9465 5.97684 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 9.8079 11.4622 4.98104 13.832 6.95572 9.52463 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 9.8079 11.4622 4.98104 15.33 7.38677 6.07224 numMergedOcc 0
12 mol 92 unq 4 iso 0 dist 8.3558 5.38868 4.98104 10.2731 6.95572 9.52463 numMergedOcc 0
13 mol 92 unq 5 iso 0 dist 8.3558 5.38868 4.98104 4.66752 7.38677 6.07224 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 8.84017 6.84011 12.5697 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 9.50575 9.78923 6.7225 13.4067 6.92026 6.39438 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 8.43116 7.46653 6.7225 5.19545 6.92026 6.39438 numMergedOcc 0
17 mol 122 unq 0 iso 0 dist 8.47907 6.85647 8.33083 6.9595 9.23819 7.09391 numMergedOcc 0
18 mol 122 unq 1 iso 0 dist 8.47907 6.85647 8.33083 10.577 8.88537 10.4589 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 4.68975 8.95641 7.78849 6.64576 5.83771 4.15314 numMergedOcc 0
20 mol 176 unq 0 iso 0 dist 8.78509 12.526 9.03194 5.41751 7.33273 11.2154 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.74465 5.02351 7.44191 5.03999 6.46704 6.70394 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.74465 5.02351 7.44191 13.5125 6.59025 11.2787 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 9.74465 12.774 6.00053 5.03999 6.46704 10.8517 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 9.74465 12.774 6.00053 13.5125 6.59025 5.87168 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 7.24099 5.13959 9.24118 6.5476 7.14503 10.9086 numMergedOcc 0
26 mol 188 unq 1 iso 0 dist 7.24099 5.13959 9.24118 5.54913 8.10214 8.98299 numMergedOcc 0
27 mol 196 unq 0 iso 0 dist 9.36732 7.21567 6.76923 9.71153 6.86319 9.91514 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 7.70631 16.2482 8.64255 14.5203 7.50013 4.91904 numMergedOcc 0
29 mol 197 unq 1 iso 0 dist 7.70631 16.2482 8.64255 11.199 5.81233 7.59634 numMergedOcc 0
30 mol 197 unq 2 iso 0 dist 7.70631 16.2482 8.64255 12.0358 6.92924 10.3181 numMergedOcc 0
31 mol 197 unq 3 iso 0 dist 7.70631 16.2482 8.64255 7.10431 7.14306 14.2718 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 8.57514 8.21257 8.43584 7.35197 4.8668 5.42117 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 6.11505 5.03046 8.43584 5.68053 4.8668 5.42117 numMergedOcc 0
34 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 5.06328 7.10826 11.6718 numMergedOcc 0
35 mol 213 unq 0 iso 0 dist 9.73691 11.0017 4.58599 10.1372 8.14332 11.5146 numMergedOcc 0
36 mol 213 unq 1 iso 0 dist 9.73691 10.4464 8.78568 10.1372 8.14332 10.693 numMergedOcc 0
37 mol 229 unq 0 iso 0 dist 6.32302 5.47886 9.84492 6.7597 8.66332 10.8309 numMergedOcc 0
38 mol 229 unq 1 iso 0 dist 8.53615 14.8014 9.84492 5.3298 8.66332 10.8309 numMergedOcc 0
39 mol 235 unq 0 iso 0 dist 5.60236 7.33514 9.71281 5.86896 6.36341 6.18998 numMergedOcc 0
40 mol 235 unq 1 iso 0 dist 9.03917 10.7399 9.71281 4.88651 6.36341 6.18998 numMergedOcc 0
41 mol 236 unq 0 iso 0 dist 7.49412 11.7007 9.31246 6.4298 7.1686 5.87054 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 8.82778 12.7518 6.37342 15.4125 8.84636 7.48655 numMergedOcc 0
43 mol 241 unq 0 iso 0 dist 8.23536 4.56189 9.72526 4.45211 7.89524 7.18308 numMergedOcc 0
44 mol 241 unq 1 iso 0 dist 6.90245 10.121 9.72526 5.69979 7.89524 7.18308 numMergedOcc 0
45 mol 251 unq 0 iso 0 dist 9.70918 10.0566 9.82043 4.92061 8.68707 5.93645 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 9.13226 11.0263 9.696 8.85159 9.85289 14.679 numMergedOcc 0
47 mol 278 unq 0 iso 0 dist 9.91518 5.49004 9.82774 11.8916 8.00673 11.9007 numMergedOcc 0
48 mol 284 unq 0 iso 0 dist 9.98268 8.92414 8.27793 4.58432 9.33437 6.96183 numMergedOcc 0
