0 mol 21 unq 0 iso 0 dist 7.38586 5.62318 6.08338 13.5547 6.93185 10.6971 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.10708 7.43198 6.23899 9.98108 9.43355 11.1914 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 8.10708 7.43198 6.23899 12.8035 7.9327 6.435 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 8.42956 4.60667 6.23899 15.504 9.43355 11.1914 numMergedOcc 0
4 mol 59 unq 3 iso 0 dist 8.42956 4.60667 6.23899 4.9619 7.9327 6.435 numMergedOcc 0
5 mol 59 unq 4 iso 0 dist 9.20253 8.34147 6.23899 15.8562 9.43355 11.1914 numMergedOcc 0
6 mol 59 unq 5 iso 0 dist 9.20253 8.34147 6.23899 10.3701 7.9327 6.435 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 8.64746 9.95527 8.68586 7.07433 9.32552 6.21578 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 8.64746 6.41829 9.54144 7.07433 9.32552 11.4485 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 7.2668 11.442 8.93296 5.71028 9.28624 9.9869 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 7.2668 11.442 8.93296 6.57984 8.31175 5.95671 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 6.0026 6.89762 8.72704 5.70312 6.0652 10.6245 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 6.61636 14.1314 7.92688 10.745 6.51868 5.92062 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 6.61636 14.1314 7.92688 11.3682 7.34698 6.61891 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 8.54318 10.0656 7.16254 11.765 9.0529 10.4923 numMergedOcc 0
15 mol 155 unq 1 iso 0 dist 8.54318 12.7034 9.14392 11.765 9.0529 6.89781 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 7.33162 7.92818 7.93331 4.67407 8.41245 6.14414 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 7.33162 7.92818 7.93331 6.34062 6.64779 4.72839 numMergedOcc 0
18 mol 173 unq 2 iso 0 dist 7.33162 8.40346 6.98095 4.67407 8.41245 5.27321 numMergedOcc 0
19 mol 173 unq 3 iso 0 dist 7.33162 8.40346 6.98095 6.34062 6.64779 8.07089 numMergedOcc 0
20 mol 173 unq 4 iso 0 dist 7.33162 11.3291 8.31897 4.67407 8.41245 10.8609 numMergedOcc 0
21 mol 173 unq 5 iso 0 dist 7.33162 11.3291 8.31897 6.34062 6.64779 5.70743 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.47836 5.14019 7.22914 10.0092 9.52615 6.00069 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 9.44826 7.02254 7.50578 15.4791 8.92185 14.3125 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 7.10557 10.9773 6.85028 5.61995 6.8972 7.80785 numMergedOcc 0
25 mol 282 unq 1 iso 0 dist 7.10557 11.2762 7.32347 5.61995 6.8972 6.6348 numMergedOcc 0
26 mol 282 unq 2 iso 0 dist 7.10557 6.28612 8.3411 5.61995 6.8972 6.3458 numMergedOcc 0
