0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 12.2041 7.88043 10.3148 9.67164 8.0744 5.5683 5.99459 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 5.99972 7.25346 12.2041 5.72491 11.2662 5.99459 8.0744 6.12483 9.67164 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 7.3915 8.53529 5.65816 12.4076 6.82379 7.03958 12.536 8.64248 4.1204 6.56356 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 4.93188 8.70827 9.75636 12.3067 9.24958 9.12854 10.4135 7.55689 9.86385 8.87744 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 4.93188 8.70827 9.75636 12.3067 9.24958 9.12854 9.33482 5.11135 10.4353 7.27472 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 10.4135 7.55689 15.9573 8.87744 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 4.93188 6.73939 10.0715 12.3067 9.24958 18.673 9.33482 5.11135 14.7634 7.27472 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 9.24958 9.12854 9.75636 12.3067 4.93188 8.70827 11.0181 8.32592 4.04519 6.6219 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 9.24958 9.12854 9.75636 12.3067 4.93188 8.70827 17.003 8.10397 13.7009 5.68215 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 5.81959 8.6653 6.61233 10.6808 6.90155 7.92503 11.4732 6.86525 11.0175 4.79873 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 5.81959 8.6653 6.61233 10.6808 6.90155 7.92503 17.8732 13.7717 10.2758 9.48085 numMergedOcc 0
11 mol 25 unq 2 iso 0 dist 6.90155 6.16347 11.0508 10.6808 5.81959 16.0183 16.617 11.4877 21.9887 7.6114 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 6.90155 7.92503 6.61233 10.6808 5.81959 8.6653 16.617 11.4877 10.8122 7.6114 numMergedOcc 0
13 mol 60 unq 0 iso 0 dist 7.55695 9.90939 4.82351 5.00018 8.82176 11.6165 14.0656 12.9345 14.0545 9.95132 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 7.55695 9.90939 4.82351 5.00018 8.82176 11.6165 8.4312 5.71764 5.85676 7.48086 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 5.16364 6.02816 9.03289 8.07446 8.85586 12.4089 5.61588 5.50891 8.26195 5.5087 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 5.16364 6.02816 9.03289 8.07446 8.85586 12.4089 7.83244 4.75954 12.382 6.08682 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.85907 8.56342 6.52773 6.99446 6.29394 5.37917 7.64052 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 4.85907 7.99857 9.11344 7.64052 6.29394 5.37917 6.99446 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 8.56342 9.23858 13.3975 4.85907 7.99857 12.7677 7.64052 6.29394 15.7711 6.99446 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 11.5913 5.25982 10.0208 8.07097 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 10.7531 7.62942 9.26504 14.2497 8.89297 8.29668 9.03441 numMergedOcc 0
22 mol 195 unq 1 iso 0 dist 6.60567 6.95086 6.74112 10.7531 7.62942 14.0524 14.2497 8.89297 14.6079 9.03441 numMergedOcc 0
23 mol 195 unq 2 iso 0 dist 7.62942 9.26504 6.0634 10.7531 6.60567 7.36683 16.1768 9.48862 8.90504 7.41662 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 8.24186 9.81425 9.68666 5.88703 7.5366 13.293 11.6391 11.0592 14.6348 7.81215 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 5.40359 6.4398 10.1217 11.1059 6.22195 9.10695 8.82351 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 6.66971 7.57812 4.77308 10.0191 7.32982 9.24557 14.4013 13.0611 17.1065 9.72188 numMergedOcc 0
27 mol 238 unq 2 iso 0 dist 6.66971 8.69104 10.2777 5.40359 6.4398 13.492 11.1059 6.22195 14.6929 8.82351 numMergedOcc 0
28 mol 238 unq 3 iso 0 dist 6.66971 8.69104 10.2777 10.0191 7.32982 12.9364 14.4013 13.0611 21.0268 9.72188 numMergedOcc 0
29 mol 238 unq 4 iso 0 dist 7.32982 9.24557 4.77308 10.1648 6.4398 10.1217 12.7605 6.22195 9.10695 8.82351 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 8.55558 7.08526 6.31909 9.98105 8.59697 10.4552 11.7465 4.67584 7.57379 8.03219 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 8.55558 7.08526 6.31909 9.98105 8.59697 10.4552 5.85442 7.32929 4.47425 6.9899 numMergedOcc 0
