0 mol 68 unq 0 iso 0 dist 4.39888 5.29595 3.20411 5.23849 6.7739 8.3318 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 4.39888 5.29595 3.20411 8.81593 9.7662 12.4542 numMergedOcc 0
2 mol 68 unq 2 iso 0 dist 5.29595 4.39888 3.20411 5.23849 8.3318 6.7739 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 9.98298 7.55036 4.73405 11.1337 9.82018 11.8212 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 9.98298 8.32248 14.1543 11.1337 9.82018 18.875 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 7.74168 7.43045 10.0469 8.28737 5.18805 13.6241 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 7.74168 8.16507 3.02458 8.28737 5.18805 7.11158 numMergedOcc 0
7 mol 141 unq 2 iso 0 dist 8.16507 7.43045 8.99845 8.28737 7.11158 13.6241 numMergedOcc 0
8 mol 141 unq 3 iso 0 dist 8.16507 7.74168 3.02458 8.28737 7.11158 5.18805 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 7.72354 9.511 3.67493 11.1787 9.1526 12.2397 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 7.31316 7.26295 3.78714 14.5547 9.60788 11.9307 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 7.67589 9.09854 3.3789 12.4252 9.80678 13.0481 numMergedOcc 0
12 mol 226 unq 1 iso 0 dist 5.94957 9.0523 3.3789 6.1912 9.80678 13.0481 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 7.14918 9.29322 12.7924 8.65126 7.01673 15.7309 numMergedOcc 0
14 mol 254 unq 0 iso 0 dist 8.87934 9.66687 2.67738 13.6734 9.70628 7.98511 numMergedOcc 0
15 mol 254 unq 1 iso 0 dist 9.66687 8.87934 2.67738 13.6734 7.98511 9.70628 numMergedOcc 0
16 mol 254 unq 2 iso 0 dist 9.47133 7.61537 2.67738 7.62172 9.70628 7.98511 numMergedOcc 0
17 mol 254 unq 3 iso 0 dist 7.61537 9.47133 2.67738 7.62172 7.98511 9.70628 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 9.98144 8.90108 5.57024 6.60935 8.23254 10.7971 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 9.33041 8.7117 9.04019 7.93109 9.08396 13.9901 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 5.35362 8.22364 4.88683 9.80648 7.45915 12.0587 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 6.69403 5.76694 2.9452 4.49194 9.14721 7.15322 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 5.76694 6.69403 2.9452 4.49194 7.15322 9.14721 numMergedOcc 0
