0 mol 28 unq 0 iso 0 dist 9.00593 10.1165 5.32719 9.68942 7.28416 7.26052 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.00593 5.00029 7.03702 9.68942 7.28416 7.36654 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.03812 4.0144 9.16411 11.0744 7.52117 14.5415 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 6.15568 5.11109 8.85391 4.18584 6.06454 6.16767 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 6.15568 5.11109 8.85391 9.0702 9.44459 11.005 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.53468 12.6627 8.39494 14.2026 8.03303 5.4527 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.90954 5.98483 8.39494 9.27925 8.03303 5.4527 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 8.42713 9.45097 8.16531 17.674 9.81831 14.5206 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.42713 9.45097 8.16531 15.232 9.12858 10.2104 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 8.42713 9.45097 8.16531 12.5871 9.4523 12.7325 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 8.42713 16.4676 8.98593 17.674 9.81831 10.145 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 8.42713 16.4676 8.98593 15.232 9.12858 13.574 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 8.42713 16.4676 8.98593 12.5871 9.4523 16.236 numMergedOcc 0
13 mol 93 unq 6 iso 0 dist 8.21032 13.7524 8.16531 6.25741 9.81831 14.5206 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 8.21032 13.7524 8.16531 10.0172 9.12858 10.2104 numMergedOcc 0
15 mol 93 unq 8 iso 0 dist 8.21032 13.7524 8.16531 13.6269 9.4523 12.7325 numMergedOcc 0
16 mol 93 unq 9 iso 0 dist 8.21032 4.07972 8.98593 6.25741 9.81831 10.145 numMergedOcc 0
17 mol 93 unq 10 iso 0 dist 8.21032 4.07972 8.98593 10.0172 9.12858 13.574 numMergedOcc 0
18 mol 93 unq 11 iso 0 dist 8.21032 4.07972 8.98593 13.6269 9.4523 16.236 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 6.92225 4.86148 6.64084 9.86605 7.88319 9.91097 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 8.48559 10.676 8.6792 6.46702 6.20182 6.22059 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 6.69054 5.88863 5.14185 5.58953 9.11712 5.09291 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.08628 16.2259 9.02096 4.358 8.0154 13.6066 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 8.35581 8.07962 9.02096 9.63193 8.0154 13.6066 numMergedOcc 0
24 mol 175 unq 2 iso 0 dist 6.72569 5.22715 9.02096 8.97821 8.0154 13.6066 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 9.6309 8.60676 5.8679 9.24732 8.86175 7.34507 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 9.6309 8.60676 5.8679 10.8948 6.29511 4.79566 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 9.77502 17.5461 9.49829 13.1002 6.39158 5.01259 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 9.77502 17.5461 9.49829 6.64857 7.75722 15.1887 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 8.38439 4.60599 5.6241 4.15973 8.50331 7.45579 numMergedOcc 0
30 mol 237 unq 0 iso 0 dist 9.74081 15.929 7.61091 4.37008 7.42587 12.5237 numMergedOcc 0
31 mol 240 unq 0 iso 0 dist 8.44671 12.6329 8.67485 15.9853 9.47583 5.36005 numMergedOcc 0
32 mol 240 unq 1 iso 0 dist 8.44671 12.6329 8.67485 13.1893 8.44909 4.4564 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 8.78354 12.4784 8.35413 11.5659 6.70815 5.38982 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 8.78354 12.4784 8.35413 11.716 7.99477 12.3699 numMergedOcc 0
35 mol 279 unq 0 iso 0 dist 5.63154 9.44846 9.56438 5.15837 8.29305 10.3409 numMergedOcc 0
36 mol 279 unq 1 iso 0 dist 5.63154 9.44846 9.56438 8.33297 6.43341 12.3922 numMergedOcc 0
