0 mol 13 unq 0 iso 0 dist 6.30479 4.19741 5.4424 10.9873 7.97656 11.3605 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 9.92545 9.30433 5.70814 5.63684 6.48625 6.8958 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 9.92545 6.4125 5.58384 5.63684 6.48625 5.85228 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 6.56878 11.359 9.67403 10.1514 9.62468 4.90701 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 6.56878 10.9697 7.28917 10.1514 9.62468 16.7918 numMergedOcc 0
5 mol 61 unq 2 iso 0 dist 6.56395 14.17 9.82315 10.1514 5.92705 7.49081 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.81722 5.20841 5.58346 5.50724 6.89722 4.69583 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.81722 8.70186 9.66744 5.50724 6.89722 8.59095 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.27446 16.8343 9.10386 6.67306 9.68526 15.7901 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 8.27446 16.8343 9.10386 14.8739 7.26679 4.69583 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 8.27446 16.8343 9.10386 8.62642 9.30776 15.8603 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 8.11757 6.69503 6.78043 11.188 4.98104 7.17015 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 8.11757 7.80674 5.74364 11.188 4.98104 4.52119 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 9.27657 14.0757 8.52125 11.0658 6.78459 5.89399 numMergedOcc 0
14 mol 102 unq 0 iso 0 dist 8.63253 5.57291 8.07962 8.90571 9.01767 8.58092 numMergedOcc 0
15 mol 102 unq 1 iso 0 dist 8.63253 6.91222 7.58908 8.90571 9.01767 12.5781 numMergedOcc 0
16 mol 102 unq 2 iso 0 dist 5.15752 5.57291 9.54857 5.26061 9.43411 7.54459 numMergedOcc 0
17 mol 102 unq 3 iso 0 dist 5.15752 5.57291 9.54857 8.90571 9.80678 8.58092 numMergedOcc 0
18 mol 102 unq 4 iso 0 dist 5.15752 6.91222 9.32058 5.26061 9.43411 11.0171 numMergedOcc 0
19 mol 102 unq 5 iso 0 dist 5.15752 6.91222 9.32058 8.90571 9.80678 12.5781 numMergedOcc 0
20 mol 108 unq 0 iso 0 dist 8.92763 11.7338 5.52402 15.6191 7.29462 4.93762 numMergedOcc 0
21 mol 108 unq 1 iso 0 dist 8.92763 4.89603 6.79804 15.6191 7.29462 12.0414 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 8.35267 16.7529 9.79844 10.4339 6.31633 11.8455 numMergedOcc 0
23 mol 109 unq 1 iso 0 dist 8.35267 16.7529 9.79844 4.91393 7.21115 15.9176 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 8.32453 10.559 5.46716 5.01665 9.61081 9.79072 numMergedOcc 0
25 mol 143 unq 1 iso 0 dist 8.32453 10.559 5.46716 4.9475 5.46922 5.80488 numMergedOcc 0
26 mol 143 unq 2 iso 0 dist 8.13798 4.49942 5.46716 14.1743 9.61081 9.79072 numMergedOcc 0
27 mol 143 unq 3 iso 0 dist 8.13798 4.49942 5.46716 9.53356 5.46922 5.80488 numMergedOcc 0
28 mol 143 unq 4 iso 0 dist 5.25485 5.03245 5.46716 13.1697 9.61081 9.79072 numMergedOcc 0
29 mol 143 unq 5 iso 0 dist 5.25485 5.03245 5.46716 9.28974 5.46922 5.80488 numMergedOcc 0
30 mol 197 unq 0 iso 0 dist 9.44094 12.4449 6.50727 11.3879 9.5331 4.83116 numMergedOcc 0
31 mol 197 unq 1 iso 0 dist 9.44094 16.4169 7.84826 11.3879 9.5331 10.1332 numMergedOcc 0
32 mol 197 unq 2 iso 0 dist 9.64653 4.44269 5.79753 16.0709 8.64255 13.0113 numMergedOcc 0
33 mol 197 unq 3 iso 0 dist 9.64653 12.7925 7.56537 16.0709 8.64255 4.57437 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 7.60093 5.18467 6.14732 7.39364 9.18675 10.9746 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 7.62438 14.6742 9.36753 5.89263 5.89084 12.0816 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 7.62438 14.6742 9.36753 12.6792 8.47009 6.94762 numMergedOcc 0
37 mol 234 unq 2 iso 0 dist 6.35728 5.18233 4.90407 5.28657 5.00515 5.44171 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 5.47932 5.05894 6.71398 14.5622 9.71281 13.1002 numMergedOcc 0
39 mol 235 unq 1 iso 0 dist 5.47932 5.05894 6.71398 10.5401 9.2433 6.64857 numMergedOcc 0
40 mol 273 unq 0 iso 0 dist 8.24507 13.9951 8.78928 12.0564 8.90885 5.75973 numMergedOcc 0
41 mol 273 unq 1 iso 0 dist 8.24507 13.9951 8.78928 14.7847 9.96963 9.40198 numMergedOcc 0
