0 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 10.6355 16.4638 9.5589 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.46263 7.51978 9.65953 6.43082 12.1102 6.83299 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 6.46263 7.51978 9.65953 11.7347 9.92426 8.10861 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 8.29606 9.99643 6.63565 8.2572 9.86253 6.72123 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 8.09075 9.99643 9.0032 8.2572 9.52183 6.72123 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 7.3098 5.09688 5.06206 9.65979 11.2501 6.45675 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 7.3098 5.09688 5.06206 12.2879 10.4409 7.47343 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 7.3098 5.09688 5.06206 10.2364 11.3142 8.86688 numMergedOcc 0
8 mol 100 unq 3 iso 0 dist 9.90038 9.26343 5.06206 13.666 11.2501 6.45675 numMergedOcc 0
9 mol 100 unq 4 iso 0 dist 9.90038 9.26343 5.06206 16.4386 10.4409 7.47343 numMergedOcc 0
10 mol 100 unq 5 iso 0 dist 9.90038 9.26343 5.06206 15.5646 11.3142 8.86688 numMergedOcc 0
11 mol 125 unq 0 iso 0 dist 9.06392 8.38646 16.5045 6.5815 13.4009 8.62381 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 5.79795 6.01118 6.96904 9.73148 7.14849 6.69288 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 8.86262 6.31492 4.61382 7.48422 13.3393 9.31746 numMergedOcc 0
14 mol 182 unq 1 iso 0 dist 7.23874 6.31492 8.09718 7.48422 12.494 9.31746 numMergedOcc 0
15 mol 182 unq 2 iso 0 dist 6.06892 7.8621 11.8631 6.98787 12.8688 9.31746 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 9.44978 9.05666 4.94984 5.64431 6.44896 5.59424 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 9.44978 9.05666 4.94984 10.8223 9.74252 7.00794 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.24101 7.13194 5.88384 9.05069 10.7019 5.72887 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 8.84212 6.42827 12.6924 8.22485 14.9867 7.57994 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 8.84212 6.42827 12.6924 6.77698 15.3551 6.18582 numMergedOcc 0
21 mol 249 unq 2 iso 0 dist 7.10933 6.42827 8.71871 8.22485 14.3622 7.57994 numMergedOcc 0
22 mol 249 unq 3 iso 0 dist 7.10933 6.42827 8.71871 6.77698 12.4246 6.18582 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 6.4889 9.78185 9.42665 17.5012 16.4034 8.33025 numMergedOcc 0
24 mol 252 unq 1 iso 0 dist 6.4889 9.78185 9.42665 16.8096 18.4669 9.2288 numMergedOcc 0
25 mol 252 unq 2 iso 0 dist 6.4889 9.78185 9.42665 6.79692 10.3367 7.19638 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 9.8256 7.22378 6.62225 6.8193 12.7176 6.60405 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 8.40312 7.26647 12.6092 4.95196 12.0446 7.73141 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 8.40312 7.26647 12.6092 9.29412 16.8253 8.43057 numMergedOcc 0
29 mol 261 unq 2 iso 0 dist 8.40312 7.7309 13.0522 9.29412 16.8253 6.05727 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 5.90175 4.96568 4.75685 5.25115 6.78702 8.4218 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 7.07268 8.27977 4.51764 13.1217 13.0233 9.70696 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 8.07221 7.70229 12.878 8.93697 16.0219 8.76532 numMergedOcc 0
33 mol 282 unq 1 iso 0 dist 8.07221 7.90792 12.8251 8.93697 16.0219 6.33524 numMergedOcc 0
