0 mol 25 unq 0 iso 0 dist 6.69002 11.8565 6.85556 11.2116 6.29797 5.86705 12.1471 5.68392 6.03987 7.6114 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.88172 12.965 8.80614 5.02512 7.58739 11.3019 15.9015 10.2049 6.86465 15.888 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.88172 12.965 8.80614 5.02512 7.58739 11.3019 12.9181 9.95364 6.62496 13.813 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 7.88172 12.965 8.80614 5.02512 7.58739 11.3019 10.671 5.49591 6.35756 11.2189 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 7.88172 12.965 8.80614 5.42468 9.01564 9.87158 15.9015 10.2049 6.86465 13.3281 numMergedOcc 0
5 mol 58 unq 4 iso 0 dist 7.88172 12.965 8.80614 5.42468 9.01564 9.87158 12.9181 9.95364 6.62496 9.22598 numMergedOcc 0
6 mol 58 unq 5 iso 0 dist 7.88172 12.965 8.80614 5.42468 9.01564 9.87158 10.671 5.49591 6.35756 8.96727 numMergedOcc 0
7 mol 58 unq 6 iso 0 dist 7.88172 12.965 8.80614 8.24108 7.11065 5.86526 15.9015 10.2049 6.86465 11.5155 numMergedOcc 0
8 mol 58 unq 7 iso 0 dist 7.88172 12.965 8.80614 8.24108 7.11065 5.86526 12.9181 9.95364 6.62496 9.55996 numMergedOcc 0
9 mol 58 unq 8 iso 0 dist 7.88172 12.965 8.80614 8.24108 7.11065 5.86526 10.671 5.49591 6.35756 8.01308 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.91141 9.19589 9.24757 9.26069 8.96616 6.20232 10.1845 5.11416 9.96396 12.2276 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.91141 9.19589 9.24757 9.26069 8.96616 6.20232 10.8928 6.56633 6.19304 8.68662 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 6.91141 9.19589 9.24757 9.26069 8.96616 6.20232 12.1403 15.3808 8.70481 13.8931 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 6.91141 9.19589 9.24757 6.25278 6.14542 5.70116 10.1845 5.11416 9.96396 9.73086 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 6.91141 9.19589 9.24757 6.25278 6.14542 5.70116 10.8928 6.56633 6.19304 7.4369 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 6.91141 9.19589 9.24757 6.25278 6.14542 5.70116 12.1403 15.3808 8.70481 12.8207 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 5.79841 13.8798 9.82915 7.43838 5.05893 11.9064 10.7029 9.29301 7.97049 13.3997 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 5.79841 13.8798 9.82915 7.43838 5.05893 11.9064 14.7997 13.5116 7.47541 15.8175 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 5.79841 13.8798 9.82915 6.41855 5.71866 14.7521 10.7029 9.29301 7.97049 14.6517 numMergedOcc 0
19 mol 85 unq 3 iso 0 dist 5.79841 13.8798 9.82915 6.41855 5.71866 14.7521 14.7997 13.5116 7.47541 18.2645 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 5.58734 6.83988 8.00003 6.14609 6.18678 9.85023 12.1173 10.4376 6.18601 13.6983 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 5.75595 11.2897 7.78652 7.51335 5.06564 4.78563 11.3921 6.48978 5.99315 5.37047 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 6.66608 11.067 9.39829 5.71744 5.99437 5.71898 11.5992 7.20191 7.81386 9.01624 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 6.66608 11.067 9.39829 6.42494 8.4848 5.83796 11.5992 7.20191 7.81386 9.55105 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 6.66608 5.16386 6.41453 5.71744 5.99437 5.93724 11.5992 7.20191 7.63312 9.01624 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 6.66608 5.16386 6.41453 6.42494 8.4848 5.12833 11.5992 7.20191 7.63312 9.55105 numMergedOcc 0
26 mol 182 unq 0 iso 0 dist 9.68323 5.40949 6.73956 9.16709 8.62102 4.88992 7.86625 7.68794 9.31746 13.5224 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 8.61546 14.5234 7.43071 17.592 9.18728 5.0317 10.2913 6.00424 9.34734 10.7855 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 8.61546 14.5234 7.43071 17.592 9.18728 5.0317 14.5974 6.35849 7.22101 5.23634 numMergedOcc 0
29 mol 227 unq 2 iso 0 dist 8.61546 14.5234 7.43071 17.592 9.18728 5.0317 17.402 10.204 8.65997 6.91318 numMergedOcc 0
30 mol 227 unq 3 iso 0 dist 8.61546 14.5234 7.43071 17.592 9.18728 5.0317 13.1699 9.76735 7.56888 11.2661 numMergedOcc 0
31 mol 227 unq 4 iso 0 dist 8.61546 14.5234 7.43071 17.592 9.18728 5.0317 11.3667 9.32448 7.55216 12.3663 numMergedOcc 0
32 mol 227 unq 5 iso 0 dist 8.61546 13.552 6.02296 17.592 9.18728 5.83175 14.5974 6.35849 7.09863 5.23634 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 6.23146 13.6402 9.05071 11.433 6.59036 5.42461 9.36645 8.80479 8.27212 10.3021 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 9.02661 17.306 8.52587 4.89003 8.60027 16.9539 12.0331 5.29529 7.56915 12.8334 numMergedOcc 0
