0 mol 7 unq 0 iso 0 dist 9.34656 8.75465 7.92429 16.3136 8.81608 12.8006 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.34656 8.00249 11.2233 16.3136 8.81608 17.4215 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 4.82549 8.09082 4.20216 10.0518 9.35562 7.05407 numMergedOcc 0
3 mol 21 unq 1 iso 0 dist 4.82549 8.09082 4.20216 6.53652 8.63857 12.7465 numMergedOcc 0
4 mol 21 unq 2 iso 0 dist 4.82549 7.5136 4.28381 10.0518 9.35562 9.6925 numMergedOcc 0
5 mol 21 unq 3 iso 0 dist 4.82549 7.5136 4.28381 6.53652 8.63857 9.62989 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 5.73257 5.39587 8.82586 6.65242 8.63635 4.58552 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 5.73257 6.47252 5.65179 6.65242 8.63635 11.2418 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 9.46609 6.72469 5.6999 3.62638 7.95451 5.7369 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 7.95972 9.20886 13.879 8.94836 7.93683 14.4171 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 7.95972 9.20886 13.879 10.6185 6.7272 13.7925 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 7.95972 9.20886 13.879 4.89334 7.64009 13.1216 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.43229 8.54304 5.78043 9.02908 8.0168 7.65564 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 7.17226 8.8639 10.8097 11.0449 8.55349 18.3352 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 7.17226 7.32009 11.5282 11.0449 8.55349 17.7821 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 5.98435 7.96353 13.6552 4.72407 6.44575 11.4619 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 5.98435 7.96353 13.6552 7.97297 7.43401 14.9378 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 8.80672 7.96353 4.44936 6.67639 5.73203 8.14226 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 8.80672 7.96353 4.44936 4.4987 6.57379 5.78982 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 7.09847 8.33147 9.68365 11.9266 7.59939 17.1073 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 7.09847 8.09403 11.6883 11.9266 7.59939 18.0211 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 8.64561 8.08491 8.82601 11.5968 9.74988 16.4813 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 4.80429 8.38045 4.06732 5.36933 8.65196 12.1142 numMergedOcc 0
23 mol 213 unq 1 iso 0 dist 4.80429 8.04327 4.31175 5.36933 8.65196 9.67366 numMergedOcc 0
24 mol 213 unq 2 iso 0 dist 6.38872 8.38045 8.37952 5.36933 5.461 12.1142 numMergedOcc 0
25 mol 213 unq 3 iso 0 dist 6.38872 8.04327 4.89372 5.36933 5.461 9.67366 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 8.20906 6.28826 7.451 5.055 9.58372 4.85332 numMergedOcc 0
27 mol 233 unq 0 iso 0 dist 5.34745 9.00218 6.206 6.49444 8.24424 11.9954 numMergedOcc 0
28 mol 233 unq 1 iso 0 dist 5.34745 9.00218 6.206 6.63339 7.0942 12.3212 numMergedOcc 0
29 mol 233 unq 2 iso 0 dist 5.34745 9.00218 6.206 9.86764 6.01775 9.34371 numMergedOcc 0
30 mol 233 unq 3 iso 0 dist 5.34745 6.0751 6.80416 6.49444 8.24424 9.01338 numMergedOcc 0
31 mol 233 unq 4 iso 0 dist 5.34745 6.0751 6.80416 6.63339 7.0942 10.4838 numMergedOcc 0
32 mol 233 unq 5 iso 0 dist 5.34745 6.0751 6.80416 9.86764 6.01775 10.3829 numMergedOcc 0
33 mol 233 unq 6 iso 0 dist 7.99897 7.69531 6.206 9.1334 8.24424 11.9954 numMergedOcc 0
34 mol 233 unq 7 iso 0 dist 7.99897 7.69531 6.206 9.81222 7.0942 12.3212 numMergedOcc 0
35 mol 233 unq 8 iso 0 dist 7.99897 7.69531 6.206 5.17683 6.01775 9.34371 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 7.54327 8.56943 6.00588 16.363 9.11572 11.2575 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 9.07397 9.3672 9.32851 13.4501 7.39547 15.2133 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 8.91763 8.95942 3.97496 8.28104 7.39547 9.92058 numMergedOcc 0
39 mol 260 unq 0 iso 0 dist 6.29389 8.19223 12.7207 12.978 8.5613 18.0322 numMergedOcc 0
