0 mol 24 unq 0 iso 0 dist 6.6834 11.8013 8.24948 4.30555 7.7447 13.3652 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 4.29713 10.7817 7.56029 7.22338 7.31718 9.76552 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 4.29713 10.7817 7.56029 5.36021 5.47447 12.6338 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 7.49235 7.46124 7.8435 7.76629 6.67678 12.5638 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 7.49235 7.46124 7.8435 8.52218 7.24956 12.4215 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 7.49235 7.46124 7.8435 3.83191 8.28591 5.99863 numMergedOcc 0
6 mol 93 unq 3 iso 0 dist 7.49235 7.46124 7.8435 3.77555 9.40687 6.15015 numMergedOcc 0
7 mol 93 unq 4 iso 0 dist 7.19431 7.46124 5.99269 3.83191 5.35008 5.99863 numMergedOcc 0
8 mol 93 unq 5 iso 0 dist 7.19431 7.46124 5.99269 3.77555 8.84576 6.15015 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.7231 5.8592 6.78801 8.67179 8.49847 9.93041 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.4275 12.369 7.1069 14.7423 8.60651 4.78989 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 8.59532 8.65195 7.97022 11.1637 7.47401 3.48213 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.95209 8.49599 6.07389 4.59453 9.4366 8.54557 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 6.32553 9.91251 7.53395 3.30102 4.97301 6.72925 numMergedOcc 0
14 mol 252 unq 0 iso 0 dist 7.95045 11.5778 9.39658 3.58934 7.62991 10.4138 numMergedOcc 0
15 mol 252 unq 1 iso 0 dist 7.95045 11.5778 9.39658 14.1621 9.81261 19.1465 numMergedOcc 0
16 mol 252 unq 2 iso 0 dist 7.95045 5.63924 5.9974 3.58934 7.62991 6.33781 numMergedOcc 0
17 mol 252 unq 3 iso 0 dist 7.95045 5.63924 5.9974 14.1621 9.81261 14.8966 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 6.19564 9.39438 9.50634 9.96926 7.49606 4.05076 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 7.12723 15.6616 8.94601 8.32005 4.27826 8.03918 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 7.12723 15.6616 8.94601 7.07384 5.82074 11.1127 numMergedOcc 0
