0 mol 24 unq 0 iso 0 dist 8.3964 10.6642 4.90592 12.6611 5.11617 4.93188 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 10.6642 4.90592 18.5238 13.2229 9.24958 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.3964 8.81498 9.36461 12.9306 8.52463 6.60423 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.3964 8.81498 9.36461 16.6009 14.6654 7.83786 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.98417 12.1122 9.5053 16.0085 10.9837 8.44506 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 9.98746 11.2391 7.03307 14.0851 4.55437 7.52117 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.66506 5.67493 6.48232 5.79954 5.11416 7.04044 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.66506 5.67493 6.48232 10.4766 6.56633 8.73253 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.18097 11.155 8.70863 17.8488 11.165 8.00777 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 9.18097 11.155 8.70863 15.5717 9.29301 7.1589 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 8.83135 15.3247 8.70863 14.3036 11.165 8.00777 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 8.83135 15.3247 8.70863 14.5836 9.29301 7.1589 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 6.6186 5.00872 8.57827 13.2395 13.534 8.65802 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 7.98039 5.09562 6.62972 9.49799 4.67519 5.88354 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 7.98039 5.09562 6.62972 12.129 6.6076 7.89665 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 7.98039 5.09562 6.62972 10.0009 10.6513 5.39354 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 7.98039 5.09562 6.62972 8.20865 10.4027 5.74854 numMergedOcc 0
17 mol 98 unq 4 iso 0 dist 7.98039 5.09562 6.62972 13.1775 12.3568 8.76566 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 7.98039 5.09562 6.62972 11.3099 14.5457 8.8368 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 9.13614 5.02505 6.76575 7.4371 7.20706 8.67766 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 9.13614 5.02505 6.76575 10.4795 5.35728 8.0831 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 4.86767 8.16908 9.35942 13.4572 12.7083 6.34525 numMergedOcc 0
22 mol 114 unq 1 iso 0 dist 4.86767 9.20674 7.42482 11.756 7.12268 9.7918 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 8.12854 12.2787 8.85881 12.1755 5.22052 5.74857 numMergedOcc 0
24 mol 120 unq 0 iso 0 dist 8.64019 6.87987 6.03352 10.3269 8.2619 8.93905 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 8.40219 14.4753 7.25644 18.9488 11.1681 5.49226 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 8.40219 14.4753 7.25644 13.3329 5.50251 6.28351 numMergedOcc 0
27 mol 162 unq 0 iso 0 dist 6.80226 12.1377 8.21989 15.2202 9.0783 8.00506 numMergedOcc 0
28 mol 162 unq 1 iso 0 dist 9.31025 7.6506 7.14263 9.89142 4.20425 6.20182 numMergedOcc 0
29 mol 162 unq 2 iso 0 dist 9.0087 8.07237 7.14263 10.8794 4.20425 6.20182 numMergedOcc 0
30 mol 162 unq 3 iso 0 dist 8.11292 13.9849 8.57005 13.9777 6.07158 6.20182 numMergedOcc 0
31 mol 162 unq 4 iso 0 dist 8.54006 7.2417 8.57005 10.282 6.07158 6.20182 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 8.79832 10.1424 5.89564 17.2323 11.8693 7.35824 numMergedOcc 0
33 mol 204 unq 0 iso 0 dist 8.82861 12.0796 5.91727 7.7292 5.86489 6.85441 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 6.23057 11.501 9.17946 17.993 13.0658 8.44861 numMergedOcc 0
35 mol 205 unq 1 iso 0 dist 6.23057 11.501 9.17946 17.0692 14.4523 5.60393 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 7.46122 5.41948 5.37796 8.9077 7.11498 5.45036 numMergedOcc 0
37 mol 230 unq 0 iso 0 dist 8.85051 5.02022 6.34832 8.33847 5.0515 6.41286 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 8.27761 5.68442 6.57921 10.8093 4.9377 7.83711 numMergedOcc 0
39 mol 253 unq 0 iso 0 dist 9.29788 4.60689 8.15091 8.53729 5.78064 7.77998 numMergedOcc 0
40 mol 253 unq 1 iso 0 dist 9.50983 9.18036 8.15091 8.07341 5.78064 7.77998 numMergedOcc 0
41 mol 282 unq 0 iso 0 dist 8.42086 10.796 8.67489 11.1193 6.46616 5.23193 numMergedOcc 0
42 mol 282 unq 1 iso 0 dist 7.84236 13.26 8.67489 12.9711 6.46616 5.23193 numMergedOcc 0
