0 mol 24 unq 0 iso 0 dist 6.40189 5.22014 3.73215 10.212 8.87744 7.27472 10.6956 6.28159 5.50396 7.36323 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.22014 6.40189 3.73215 10.212 7.27472 8.87744 10.6956 5.50396 6.28159 7.36323 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.26412 8.94262 4.99257 8.64255 7.6114 11.9721 13.0003 6.10919 10.5564 7.31767 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.26412 8.94262 4.99257 8.64255 7.6114 11.9721 11.2263 5.86705 10.7201 6.03987 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.86485 9.1791 7.13086 7.71984 9.22598 13.813 9.74058 9.87158 11.3019 6.62496 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 6.86485 9.1791 7.13086 4.67517 8.96727 11.2189 9.74058 9.87158 11.3019 6.35756 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 6.86485 8.37546 6.20884 7.71984 9.22598 9.55996 9.74058 9.87158 5.86526 6.62496 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 6.86485 8.37546 6.20884 4.67517 8.96727 8.01308 9.74058 9.87158 5.86526 6.35756 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 8.37546 9.1791 5.68445 4.67517 8.01308 11.2189 9.74058 5.86526 11.3019 6.35756 numMergedOcc 0
9 mol 58 unq 5 iso 0 dist 8.37546 6.86485 6.20884 4.67517 8.01308 8.96727 9.74058 5.86526 9.87158 6.35756 numMergedOcc 0
10 mol 58 unq 6 iso 0 dist 9.76234 8.26586 7.13086 12.5529 9.22598 13.813 12.818 9.87158 11.3019 6.62496 numMergedOcc 0
11 mol 58 unq 7 iso 0 dist 9.76234 8.26586 7.13086 8.47822 8.96727 11.2189 12.818 9.87158 11.3019 6.35756 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.61144 6.13521 6.02822 14.8146 9.36001 12.4681 9.87656 5.31547 4.3481 9.64443 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 6.13521 9.61144 6.02822 4.78289 7.06939 10.9241 9.87656 4.3481 5.31547 9.33898 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.44426 7.63284 9.6331 9.04817 5.10496 9.89095 4.31067 3.9764 7.03983 5.08437 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 5.44426 7.63284 9.6331 4.70157 5.92242 7.02507 4.31067 3.9764 7.03983 6.48948 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 5.44426 7.63284 9.6331 6.21302 5.2571 12.7417 4.31067 3.9764 7.03983 6.10456 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 7.63284 5.44426 9.6331 4.70157 7.02507 5.92242 4.31067 7.03983 3.9764 6.48948 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 5.93561 5.33967 7.49425 5.15479 6.29161 7.86666 10.5366 6.73011 13.0886 7.34473 numMergedOcc 0
19 mol 109 unq 1 iso 0 dist 5.33967 5.93561 7.49425 5.15479 7.86666 6.29161 10.5366 13.0886 6.73011 7.34473 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 6.17349 9.21978 11.044 6.86762 7.69765 9.42082 12.9567 10.3209 15.3161 7.30858 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 6.17349 9.21978 11.044 6.86762 7.69765 9.42082 5.11612 4.48636 6.63111 5.83991 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 6.17349 9.21978 11.044 6.86762 7.69765 9.42082 11.7895 11.835 6.07067 7.88312 numMergedOcc 0
23 mol 115 unq 3 iso 0 dist 9.21978 6.17349 11.044 10.3475 6.39384 13.4105 5.11612 6.63111 4.48636 9.33865 numMergedOcc 0
24 mol 115 unq 4 iso 0 dist 9.21978 6.17349 11.044 10.3475 6.39384 13.4105 11.7895 6.07067 11.835 6.11741 numMergedOcc 0
25 mol 115 unq 5 iso 0 dist 9.21978 6.17349 11.044 6.86762 9.42082 7.69765 12.9567 15.3161 10.3209 7.30858 numMergedOcc 0
26 mol 115 unq 6 iso 0 dist 9.21978 6.17349 11.044 6.86762 9.42082 7.69765 5.11612 6.63111 4.48636 5.83991 numMergedOcc 0
27 mol 115 unq 7 iso 0 dist 9.21978 6.17349 11.044 6.86762 9.42082 7.69765 11.7895 6.07067 11.835 7.88312 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 8.4375 8.62413 5.94312 5.57978 6.69691 5.51197 7.00798 8.26896 12.1739 8.54584 numMergedOcc 0
29 mol 129 unq 1 iso 0 dist 8.4375 6.93102 5.35495 5.57978 6.69691 8.86944 7.00798 8.26896 5.63254 8.54584 numMergedOcc 0
30 mol 129 unq 2 iso 0 dist 8.62413 8.4375 5.94312 5.57978 5.51197 6.69691 7.00798 12.1739 8.26896 8.54584 numMergedOcc 0
31 mol 129 unq 3 iso 0 dist 8.62413 6.93102 9.74141 5.57978 5.51197 8.86944 7.00798 12.1739 5.63254 8.54584 numMergedOcc 0
32 mol 129 unq 4 iso 0 dist 6.93102 8.62413 9.74141 5.57978 8.86944 5.51197 7.00798 5.63254 12.1739 8.54584 numMergedOcc 0
33 mol 129 unq 5 iso 0 dist 6.93102 8.4375 5.35495 5.57978 8.86944 6.69691 7.00798 5.63254 8.26896 8.54584 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 8.79662 6.6497 4.79329 13.3218 7.48954 12.0028 16.3367 9.53117 13.8886 7.21333 numMergedOcc 0
35 mol 243 unq 0 iso 0 dist 9.49016 8.92798 6.26616 6.50608 8.69318 11.4025 4.89168 5.71505 4.81639 8.23192 numMergedOcc 0
