0 mol 28 unq 0 iso 0 dist 9.00593 10.1165 5.32719 9.68942 7.28416 7.26052 8.01073 9.72965 8.0641 4.74049 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.00593 10.1165 5.32719 9.68942 7.28416 7.26052 8.57321 5.63315 10.6532 10.2179 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.00593 10.1165 5.32719 9.68942 7.28416 7.26052 11.0203 9.8465 12.9204 7.01194 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.00593 5.00029 7.03702 9.68942 7.28416 7.36654 8.01073 9.72965 5.53358 4.74049 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 9.00593 5.00029 7.03702 9.68942 7.28416 7.36654 8.57321 5.63315 9.79971 10.2179 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 9.00593 5.00029 7.03702 9.68942 7.28416 7.36654 11.0203 9.8465 11.7809 7.01194 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.53468 12.6627 8.39494 14.2026 8.03303 5.4527 12.2874 8.58543 9.06936 8.92736 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.90954 5.98483 8.39494 9.27925 8.03303 5.4527 7.81776 8.58543 9.06936 8.92736 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.42713 9.45097 8.16531 17.674 9.81831 14.5206 8.02579 5.51624 4.55916 11.6865 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.42713 9.45097 8.16531 17.674 9.81831 14.5206 12.3147 7.8674 15.9068 12.2598 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 8.42713 9.45097 8.16531 15.232 9.12858 10.2104 8.02579 5.51624 4.55916 7.64463 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 8.42713 9.45097 8.16531 15.232 9.12858 10.2104 12.3147 7.8674 15.9068 14.8533 numMergedOcc 0
12 mol 93 unq 4 iso 0 dist 8.42713 9.45097 8.16531 12.5871 9.4523 12.7325 8.02579 5.51624 4.55916 8.29171 numMergedOcc 0
13 mol 93 unq 5 iso 0 dist 8.42713 9.45097 8.16531 12.5871 9.4523 12.7325 12.3147 7.8674 15.9068 12.7936 numMergedOcc 0
14 mol 93 unq 6 iso 0 dist 8.42713 16.4676 8.98593 17.674 9.81831 10.145 8.02579 5.51624 13.8162 11.6865 numMergedOcc 0
15 mol 93 unq 7 iso 0 dist 8.42713 16.4676 8.98593 17.674 9.81831 10.145 12.3147 7.8674 8.93352 12.2598 numMergedOcc 0
16 mol 93 unq 8 iso 0 dist 8.42713 16.4676 8.98593 15.232 9.12858 13.574 8.02579 5.51624 13.8162 7.64463 numMergedOcc 0
17 mol 93 unq 9 iso 0 dist 8.42713 16.4676 8.98593 15.232 9.12858 13.574 12.3147 7.8674 8.93352 14.8533 numMergedOcc 0
18 mol 93 unq 10 iso 0 dist 8.42713 16.4676 8.98593 12.5871 9.4523 16.236 8.02579 5.51624 13.8162 8.29171 numMergedOcc 0
19 mol 93 unq 11 iso 0 dist 8.42713 16.4676 8.98593 12.5871 9.4523 16.236 12.3147 7.8674 8.93352 12.7936 numMergedOcc 0
20 mol 93 unq 12 iso 0 dist 8.21032 13.7524 8.16531 6.25741 9.81831 14.5206 12.1011 5.51624 4.55916 11.6865 numMergedOcc 0
21 mol 93 unq 13 iso 0 dist 8.21032 13.7524 8.16531 6.25741 9.81831 14.5206 9.97789 7.8674 15.9068 12.2598 numMergedOcc 0
22 mol 93 unq 14 iso 0 dist 8.21032 13.7524 8.16531 10.0172 9.12858 10.2104 12.1011 5.51624 4.55916 7.64463 numMergedOcc 0
23 mol 93 unq 15 iso 0 dist 8.21032 13.7524 8.16531 10.0172 9.12858 10.2104 9.97789 7.8674 15.9068 14.8533 numMergedOcc 0
24 mol 93 unq 16 iso 0 dist 8.21032 13.7524 8.16531 13.6269 9.4523 12.7325 12.1011 5.51624 4.55916 8.29171 numMergedOcc 0
25 mol 93 unq 17 iso 0 dist 8.21032 13.7524 8.16531 13.6269 9.4523 12.7325 9.97789 7.8674 15.9068 12.7936 numMergedOcc 0
26 mol 93 unq 18 iso 0 dist 8.21032 4.07972 8.98593 6.25741 9.81831 10.145 12.1011 5.51624 13.8162 11.6865 numMergedOcc 0
27 mol 93 unq 19 iso 0 dist 8.21032 4.07972 8.98593 6.25741 9.81831 10.145 9.97789 7.8674 8.93352 12.2598 numMergedOcc 0
28 mol 93 unq 20 iso 0 dist 8.21032 4.07972 8.98593 10.0172 9.12858 13.574 12.1011 5.51624 13.8162 7.64463 numMergedOcc 0
29 mol 93 unq 21 iso 0 dist 8.21032 4.07972 8.98593 10.0172 9.12858 13.574 9.97789 7.8674 8.93352 14.8533 numMergedOcc 0
30 mol 93 unq 22 iso 0 dist 8.21032 4.07972 8.98593 13.6269 9.4523 16.236 12.1011 5.51624 13.8162 8.29171 numMergedOcc 0
31 mol 93 unq 23 iso 0 dist 8.21032 4.07972 8.98593 13.6269 9.4523 16.236 9.97789 7.8674 8.93352 12.7936 numMergedOcc 0
32 mol 162 unq 0 iso 0 dist 8.48559 10.676 8.6792 6.46702 6.20182 6.22059 5.61836 8.53374 12.783 6.69868 numMergedOcc 0
33 mol 171 unq 0 iso 0 dist 6.69054 5.88863 5.14185 5.58953 9.11712 5.09291 9.6968 9.75627 9.27839 8.26419 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 9.08628 16.2259 9.02096 4.358 8.0154 13.6066 14.8387 7.32419 9.412 12.3408 numMergedOcc 0
35 mol 175 unq 1 iso 0 dist 9.08628 16.2259 9.02096 4.358 8.0154 13.6066 11.9554 8.31961 11.9733 8.68081 numMergedOcc 0
36 mol 175 unq 2 iso 0 dist 8.35581 8.07962 9.02096 9.63193 8.0154 13.6066 13.6171 7.32419 9.412 12.3408 numMergedOcc 0
37 mol 175 unq 3 iso 0 dist 8.35581 8.07962 9.02096 9.63193 8.0154 13.6066 13.6238 8.31961 11.9733 8.68081 numMergedOcc 0
38 mol 175 unq 4 iso 0 dist 6.72569 5.22715 9.02096 8.97821 8.0154 13.6066 10.2269 7.32419 9.412 12.3408 numMergedOcc 0
39 mol 175 unq 5 iso 0 dist 6.72569 5.22715 9.02096 8.97821 8.0154 13.6066 10.4606 8.31961 11.9733 8.68081 numMergedOcc 0
40 mol 218 unq 0 iso 0 dist 9.6309 8.60676 5.8679 9.24732 8.86175 7.34507 6.2347 9.06334 11.3148 9.46742 numMergedOcc 0
41 mol 218 unq 1 iso 0 dist 9.6309 8.60676 5.8679 10.8948 6.29511 4.79566 6.2347 9.06334 11.3148 11.438 numMergedOcc 0
42 mol 235 unq 0 iso 0 dist 9.77502 17.5461 9.49829 13.1002 6.39158 5.01259 14.9983 9.81305 5.68592 5.72331 numMergedOcc 0
43 mol 235 unq 1 iso 0 dist 9.77502 17.5461 9.49829 13.1002 6.39158 5.01259 9.81171 6.89118 10.4991 8.33772 numMergedOcc 0
44 mol 235 unq 2 iso 0 dist 9.77502 17.5461 9.49829 6.64857 7.75722 15.1887 14.9983 9.81305 5.68592 12.6437 numMergedOcc 0
45 mol 235 unq 3 iso 0 dist 9.77502 17.5461 9.49829 6.64857 7.75722 15.1887 9.81171 6.89118 10.4991 5.70265 numMergedOcc 0
46 mol 237 unq 0 iso 0 dist 9.74081 15.929 7.61091 4.37008 7.42587 12.5237 12.7987 9.84466 12.7836 13.1083 numMergedOcc 0
47 mol 237 unq 1 iso 0 dist 9.74081 15.929 7.61091 4.37008 7.42587 12.5237 5.78318 6.16557 12.1471 6.23145 numMergedOcc 0
48 mol 237 unq 2 iso 0 dist 9.74081 15.929 7.61091 4.37008 7.42587 12.5237 10.217 5.4813 6.31546 7.11441 numMergedOcc 0
49 mol 240 unq 0 iso 0 dist 8.44671 12.6329 8.67485 15.9853 9.47583 5.36005 10.128 9.53915 5.48054 10.6074 numMergedOcc 0
50 mol 240 unq 1 iso 0 dist 8.44671 12.6329 8.67485 13.1893 8.44909 4.4564 10.128 9.53915 5.48054 9.23135 numMergedOcc 0
51 mol 258 unq 0 iso 0 dist 8.78354 12.4784 8.35413 11.5659 6.70815 5.38982 6.73942 6.47194 10.2978 6.6525 numMergedOcc 0
52 mol 258 unq 1 iso 0 dist 8.78354 12.4784 8.35413 11.716 7.99477 12.3699 6.73942 6.47194 10.2978 5.27959 numMergedOcc 0
