0 mol 9 unq 0 iso 0 dist 7.39855 9.47063 6.96992 8.14998 9.8267 13.4984 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 4.69674 9.27838 11.7291 4.86198 3.93249 13.6186 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 8.81824 7.54568 13.2941 8.04242 7.59896 13.5973 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 5.94552 8.8822 13.1665 7.02367 8.9451 5.40648 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 5.94552 8.8822 13.1665 9.30832 4.43124 15.5674 numMergedOcc 0
5 mol 113 unq 2 iso 0 dist 5.94552 9.66219 12.3067 7.02367 8.9451 3.52111 numMergedOcc 0
6 mol 113 unq 3 iso 0 dist 5.94552 9.66219 12.3067 9.30832 4.43124 13.7232 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 6.62757 9.39352 11.3992 9.19156 3.46183 11.8094 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 9.36354 9.39352 9.28375 9.19156 12.5282 11.8094 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 6.02579 7.76163 7.65999 6.93931 5.64335 5.70845 numMergedOcc 0
10 mol 206 unq 0 iso 0 dist 9.73419 6.16414 7.87274 4.51255 9.90756 9.36584 numMergedOcc 0
11 mol 206 unq 1 iso 0 dist 9.73419 7.33701 12.04 4.51255 9.90756 8.97305 numMergedOcc 0
12 mol 206 unq 2 iso 0 dist 9.73419 8.0871 15.182 4.51255 9.90756 8.90838 numMergedOcc 0
13 mol 206 unq 3 iso 0 dist 6.11803 7.75885 7.87274 6.23183 9.90756 9.36584 numMergedOcc 0
14 mol 206 unq 4 iso 0 dist 9.99824 6.16414 6.55611 4.51255 13.815 9.36584 numMergedOcc 0
15 mol 206 unq 5 iso 0 dist 9.99824 7.33701 7.22859 4.51255 13.815 8.97305 numMergedOcc 0
16 mol 206 unq 6 iso 0 dist 9.99824 8.0871 9.80396 4.51255 13.815 8.90838 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 6.48765 6.1951 6.53702 6.1896 3.33782 5.34495 numMergedOcc 0
18 mol 218 unq 1 iso 0 dist 6.48765 6.1951 6.53702 6.09255 9.06704 3.83106 numMergedOcc 0
19 mol 219 unq 0 iso 0 dist 7.68645 7.59632 10.8057 9.64116 14.4704 8.27505 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 8.36659 7.67576 5.5933 5.1609 4.7232 3.98604 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 8.36659 9.82371 10.9135 5.1609 4.7232 7.99695 numMergedOcc 0
22 mol 222 unq 2 iso 0 dist 9.18913 7.67576 13.2849 5.1609 10.8533 3.98604 numMergedOcc 0
23 mol 222 unq 3 iso 0 dist 9.18913 9.82371 14.5433 5.1609 10.8533 7.99695 numMergedOcc 0
24 mol 240 unq 0 iso 0 dist 5.31041 6.68687 6.98179 5.77749 6.27486 7.06594 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 5.8473 7.6595 5.58975 7.12221 8.70164 4.97531 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 5.8473 7.6595 5.58975 5.4557 4.05528 7.26991 numMergedOcc 0
27 mol 258 unq 2 iso 0 dist 6.78929 7.6595 10.4681 7.12221 8.5006 4.97531 numMergedOcc 0
28 mol 258 unq 3 iso 0 dist 6.78929 7.6595 10.4681 5.4557 5.72883 7.26991 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 9.91497 6.71375 13.9004 9.28128 4.5464 12.6979 numMergedOcc 0
30 mol 265 unq 1 iso 0 dist 8.2179 6.71375 10.3547 9.28128 6.12232 12.6979 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 8.98154 9.85289 10.4158 9.83622 7.25285 5.14522 numMergedOcc 0
32 mol 278 unq 0 iso 0 dist 5.77089 6.62841 7.27472 5.35705 5.04677 10.5492 numMergedOcc 0
