0 mol 7 unq 0 iso 0 dist 8.94874 8.19144 9.17096 5.77391 7.21217 7.31201 11.9671 6.09254 10.789 7.10621 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.10175 8.41365 10.352 5.65405 5.59773 5.02241 14.4402 13.9079 6.91765 9.5589 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 6.10175 8.41365 10.352 5.65405 5.59773 5.02241 10.5929 10.4238 5.06052 6.83299 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 6.10175 8.41365 10.352 5.65405 5.59773 5.02241 6.54183 10.1356 10.1332 8.10861 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 4.85152 7.36397 6.12826 11.1785 9.514 10.6071 11.1915 11.8037 9.32974 7.4729 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 4.85152 6.58062 5.02124 11.1785 9.514 5.81965 11.1915 11.8037 6.99832 7.4729 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.592 8.90311 14.8365 9.52181 8.42445 10.3172 11.8382 7.18757 16.696 7.5732 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 8.26291 6.16039 12.2551 10.9365 7.83619 13.0127 13.2314 10.0837 12.1776 9.28393 numMergedOcc 0
8 mol 142 unq 0 iso 0 dist 5.1557 9.93184 7.02723 6.01403 7.57458 11.4757 14.3662 13.1936 16.7555 9.2313 numMergedOcc 0
9 mol 142 unq 1 iso 0 dist 5.1557 9.93184 7.02723 6.01403 7.57458 11.4757 13.2109 12.288 13.7398 7.73169 numMergedOcc 0
10 mol 142 unq 2 iso 0 dist 5.1557 9.93184 7.02723 6.01403 7.57458 11.4757 13.7988 14.2067 13.7723 8.96657 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 6.67598 9.40225 10.3893 5.66289 7.30021 6.27641 9.19499 5.0966 7.29758 7.44554 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 6.67598 9.40225 10.3893 5.66289 7.30021 6.27641 7.11647 5.75141 8.67156 8.94056 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 6.67598 9.40225 10.3893 5.66289 7.30021 6.27641 13.581 12.865 4.53931 9.83699 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 8.79185 9.40225 7.02779 5.59399 6.71202 10.9818 7.11647 5.70205 8.67156 7.66148 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 4.3362 8.57161 7.84277 9.20027 7.31105 6.99002 17.1012 14.6296 15.9568 9.23153 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 4.3362 8.57161 7.84277 9.20027 7.31105 6.99002 13.6374 9.52692 11.1321 8.24498 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 7.46044 6.04427 7.89905 13.1803 9.75313 12.6391 10.6043 6.46679 7.67202 6.61986 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 7.7163 9.97425 5.46434 11.8217 9.34636 7.06793 7.07564 5.63485 9.36098 8.95269 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 7.7163 9.97425 5.46434 10.8463 9.79616 10.0414 7.07564 5.63485 9.36098 6.57273 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 7.7163 9.97425 5.46434 10.8463 9.79616 10.0414 12.0295 9.36962 12.5195 6.60589 numMergedOcc 0
21 mol 224 unq 4 iso 0 dist 9.2 9.97425 11.0842 5.44863 9.29703 12.7072 7.07564 4.8786 9.36098 5.78342 numMergedOcc 0
22 mol 224 unq 5 iso 0 dist 9.2 9.97425 11.0842 5.44863 9.29703 12.7072 12.0295 7.18448 12.5195 9.16166 numMergedOcc 0
23 mol 224 unq 6 iso 0 dist 9.2 9.97425 11.0842 5.44863 9.29703 12.7072 9.11052 6.38066 14.7761 5.81334 numMergedOcc 0
24 mol 224 unq 7 iso 0 dist 9.06201 8.39753 5.46434 11.9904 9.34636 7.06793 10.9817 5.63485 9.36098 8.95269 numMergedOcc 0
25 mol 224 unq 8 iso 0 dist 9.06201 8.39753 5.46434 13.0574 9.79616 10.0414 10.9817 5.63485 9.36098 6.57273 numMergedOcc 0
26 mol 224 unq 9 iso 0 dist 9.06201 8.39753 5.46434 13.0574 9.79616 10.0414 15.8289 9.36962 12.5195 6.60589 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 6.32593 5.72415 5.1967 6.53984 9.75174 6.91569 12.6391 13.477 10.9761 6.57393 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.42812 8.62043 8.46112 16.2915 6.90434 13.3722 20.3589 13.2927 16.4054 9.7748 numMergedOcc 0
