0 mol 25 unq 0 iso 0 dist 6.69002 11.8565 6.85556 11.2116 6.29797 5.86705 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.88172 12.965 8.80614 5.02512 7.58739 11.3019 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.88172 12.965 8.80614 5.42468 9.01564 9.87158 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 7.88172 12.965 8.80614 8.24108 7.11065 5.86526 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.91141 9.19589 9.24757 9.26069 8.96616 6.20232 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.91141 9.19589 9.24757 6.25278 6.14542 5.70116 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 5.79841 13.8798 9.82915 7.43838 5.05893 11.9064 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 5.79841 13.8798 9.82915 6.41855 5.71866 14.7521 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 5.58734 6.83988 8.00003 6.14609 6.18678 9.85023 numMergedOcc 0
9 mol 135 unq 0 iso 0 dist 9.03598 12.3033 7.90563 8.91766 7.17599 8.50814 numMergedOcc 0
10 mol 135 unq 1 iso 0 dist 9.03598 9.69024 8.97655 8.91766 7.17599 3.95636 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.35864 10.4653 9.97343 14.9912 6.65731 13.4066 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 8.35864 15.1845 9.70413 14.9912 6.65731 8.54432 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 5.75595 11.2897 7.78652 7.51335 5.06564 4.78563 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.66608 11.067 9.39829 5.71744 5.99437 5.71898 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 6.66608 11.067 9.39829 6.42494 8.4848 5.83796 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 6.66608 5.16386 6.41453 5.71744 5.99437 5.93724 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 6.66608 5.16386 6.41453 6.42494 8.4848 5.12833 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 9.68323 5.40949 6.73956 9.16709 8.62102 4.88992 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 6.69623 9.0689 8.07687 4.25315 8.24419 10.6496 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 6.21951 11.1236 8.07687 4.89614 8.24419 10.6496 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 8.61546 14.5234 7.43071 17.592 9.18728 5.0317 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.61546 13.552 6.02296 17.592 9.18728 5.83175 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 6.23146 13.6402 9.05071 11.433 6.59036 5.42461 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 6.86251 11.9319 6.36341 7.19464 7.39085 13.089 numMergedOcc 0
25 mol 235 unq 1 iso 0 dist 6.86251 5.19684 6.21292 7.19464 7.39085 10.5354 numMergedOcc 0
26 mol 235 unq 2 iso 0 dist 6.86251 7.00293 9.21736 7.19464 7.39085 11.3865 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 8.30714 7.97998 7.46394 12.0951 7.77765 5.22914 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 8.30714 7.97998 7.46394 16.7767 9.65868 14.7507 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 8.30714 12.3018 9.45514 12.0951 7.77765 12.393 numMergedOcc 0
30 mol 274 unq 3 iso 0 dist 8.30714 12.3018 9.45514 16.7767 9.65868 8.87855 numMergedOcc 0
31 mol 274 unq 4 iso 0 dist 8.30714 9.61244 8.91672 12.0951 7.77765 16.5034 numMergedOcc 0
32 mol 274 unq 5 iso 0 dist 8.30714 9.61244 8.91672 16.7767 9.65868 12.5615 numMergedOcc 0
33 mol 274 unq 6 iso 0 dist 8.30714 5.7745 7.1729 12.0951 7.77765 10.2884 numMergedOcc 0
34 mol 274 unq 7 iso 0 dist 8.30714 5.7745 7.1729 16.7767 9.65868 13.0867 numMergedOcc 0
35 mol 274 unq 8 iso 0 dist 9.02661 17.306 8.52587 4.89003 8.60027 16.9539 numMergedOcc 0
36 mol 274 unq 9 iso 0 dist 9.02661 10.2307 6.39866 4.89003 8.60027 8.87855 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 8.16582 9.36068 7.23721 4.62039 9.42255 10.7629 numMergedOcc 0
38 mol 279 unq 1 iso 0 dist 6.12347 9.73122 9.09855 11.9254 8.98854 4.14939 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 9.46421 7.70348 9.88863 11.7127 8.6233 5.94 numMergedOcc 0
