0 mol 12 unq 0 iso 0 dist 8.8993 5.44478 8.27891 9.41745 6.7002 6.9065 8.79013 6.62201 5.03514 8.10227 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 9.54644 4.10339 13.1554 7.34019 6.26111 9.45335 6.1084 6.41221 9.13645 4.24251 numMergedOcc 0
2 mol 36 unq 1 iso 0 dist 9.54644 4.10339 13.1554 8.43828 14.9059 5.98566 6.1084 6.41221 9.13645 9.98403 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.61203 8.20839 4.73219 6.27528 6.77896 8.8408 6.22498 4.13643 3.83791 5.10993 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 9.66944 5.72494 4.37349 5.94478 9.57454 6.07628 9.43076 4.3208 4.78648 6.80028 numMergedOcc 0
5 mol 103 unq 1 iso 0 dist 9.66944 8.70106 9.29681 5.94478 9.57454 10.2138 9.43076 4.3208 10.6434 6.80028 numMergedOcc 0
6 mol 125 unq 0 iso 0 dist 9.06392 4.81596 11.9038 8.38646 16.5045 6.06241 9.69767 16.0066 5.72858 9.19101 numMergedOcc 0
7 mol 178 unq 0 iso 0 dist 5.79795 7.33326 10.5369 6.01118 6.96904 5.84525 8.74572 3.93042 14.0884 10.8974 numMergedOcc 0
8 mol 178 unq 1 iso 0 dist 5.79795 7.33326 10.5369 6.01118 6.96904 5.84525 8.62441 3.95924 11.0838 8.44333 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 8.86262 7.03216 10.4612 6.31492 4.61382 9.72559 8.45614 4.66231 12.8965 4.88992 numMergedOcc 0
10 mol 182 unq 1 iso 0 dist 8.86262 9.42196 13.4338 6.31492 4.61382 13.9897 8.45614 4.66231 13.9118 4.88992 numMergedOcc 0
11 mol 182 unq 2 iso 0 dist 7.23874 7.03216 5.3582 6.31492 8.09718 9.72559 8.45614 9.47983 12.8965 4.88992 numMergedOcc 0
12 mol 182 unq 3 iso 0 dist 7.23874 9.42196 8.2857 6.31492 8.09718 13.9897 8.45614 9.47983 13.9118 4.88992 numMergedOcc 0
13 mol 282 unq 0 iso 0 dist 8.07221 7.28238 7.88907 7.70229 12.878 6.17747 9.07173 10.3404 7.78603 8.58259 numMergedOcc 0
14 mol 282 unq 1 iso 0 dist 8.07221 7.28238 7.88907 7.90792 12.8251 7.94567 9.07173 10.3404 7.78603 5.29852 numMergedOcc 0
15 mol 282 unq 2 iso 0 dist 8.07221 7.3389 5.6541 7.70229 12.878 13.1327 9.07173 10.3404 8.55841 8.58259 numMergedOcc 0
16 mol 282 unq 3 iso 0 dist 8.07221 7.3389 5.6541 7.90792 12.8251 11.2762 9.07173 10.3404 8.55841 5.29852 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.22576 9.91979 11.3048 7.74312 8.93497 10.6613 4.13216 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.22576 9.91979 11.3048 7.74312 8.93497 10.6613 4.13216 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.22576 9.91979 11.3048 7.74312 8.93497 10.6613 4.13216 numMergedOcc 0
