0 mol 24 unq 0 iso 0 dist 6.60423 6.58998 9.38831 8.66248 9.41655 15.0537 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.60423 6.58998 9.38831 6.73521 6.803 12.8421 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.83786 11.0493 9.38831 10.0118 9.41655 15.0537 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.83786 11.0493 9.38831 6.07594 6.803 12.8421 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 4.93188 9.48345 9.40479 13.5399 9.65174 13.3652 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 4.93188 14.4162 9.58012 13.5399 9.65174 6.79749 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 9.24958 13.1456 9.40479 15.0923 9.65174 13.3652 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 9.24958 10.0655 9.58012 15.0923 9.65174 6.79749 numMergedOcc 0
8 mol 28 unq 0 iso 0 dist 7.28416 4.74049 9.72965 4.55829 8.75468 7.39132 numMergedOcc 0
9 mol 28 unq 1 iso 0 dist 7.28416 4.74049 9.72965 5.13816 7.62989 5.28861 numMergedOcc 0
10 mol 28 unq 2 iso 0 dist 7.28416 4.74049 9.72965 7.07342 5.70238 6.94261 numMergedOcc 0
11 mol 28 unq 3 iso 0 dist 7.28416 10.2179 5.63315 4.55829 8.75468 13.2225 numMergedOcc 0
12 mol 28 unq 4 iso 0 dist 7.28416 10.2179 5.63315 5.13816 7.62989 12.3695 numMergedOcc 0
13 mol 28 unq 5 iso 0 dist 7.28416 10.2179 5.63315 7.07342 5.70238 6.33375 numMergedOcc 0
14 mol 28 unq 6 iso 0 dist 7.28416 7.01194 9.8465 4.55829 8.75468 10.8134 numMergedOcc 0
15 mol 28 unq 7 iso 0 dist 7.28416 7.01194 9.8465 5.13816 7.62989 11.956 numMergedOcc 0
16 mol 28 unq 8 iso 0 dist 7.28416 7.01194 9.8465 7.07342 5.70238 8.99305 numMergedOcc 0
17 mol 43 unq 0 iso 0 dist 8.44903 5.64171 7.31982 9.80379 9.82307 6.59887 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 8.03303 8.92736 8.58543 6.28792 8.59337 12.2331 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 8.03303 8.92736 8.58543 4.4893 7.66942 4.53496 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 8.65802 12.1157 8.03028 10.3949 7.87729 13.3357 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 8.65802 7.23437 7.39754 10.3949 7.87729 13.7136 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 9.81831 11.6865 5.51624 8.13232 6.46217 10.1484 numMergedOcc 0
23 mol 93 unq 1 iso 0 dist 9.81831 12.2598 7.8674 8.13232 6.46217 10.2139 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 9.12858 7.64463 5.51624 9.79899 6.46217 10.1484 numMergedOcc 0
25 mol 93 unq 3 iso 0 dist 9.12858 14.8533 7.8674 9.79899 6.46217 10.2139 numMergedOcc 0
26 mol 93 unq 4 iso 0 dist 9.4523 8.29171 5.51624 13.6379 6.46217 10.1484 numMergedOcc 0
27 mol 93 unq 5 iso 0 dist 9.4523 12.7936 7.8674 13.6379 6.46217 10.2139 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 8.67766 11.8348 9.92553 10.8085 9.67274 9.65072 numMergedOcc 0
29 mol 109 unq 1 iso 0 dist 8.0831 15.0307 9.92553 10.1337 9.67274 9.65072 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 7.99857 4.99056 8.03035 10.4816 7.62197 10.7475 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 8.56342 3.78311 8.03035 13.2169 7.62197 10.7475 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 8.41611 10.8441 5.73236 6.75249 7.22 5.42311 numMergedOcc 0
33 mol 147 unq 0 iso 0 dist 5.49226 9.02993 9.23528 4.19634 7.19893 9.20965 numMergedOcc 0
34 mol 147 unq 1 iso 0 dist 5.49226 9.02993 9.23528 4.45407 6.37938 4.60996 numMergedOcc 0
35 mol 147 unq 2 iso 0 dist 6.28351 14.4247 9.23528 10.2041 7.19893 9.20965 numMergedOcc 0
36 mol 147 unq 3 iso 0 dist 6.28351 14.4247 9.23528 10.5141 6.37938 4.60996 numMergedOcc 0
37 mol 152 unq 0 iso 0 dist 9.77552 7.2238 6.39031 10.6994 7.34557 4.78989 numMergedOcc 0
38 mol 152 unq 1 iso 0 dist 8.28642 5.59336 6.39031 4.68615 7.34557 4.78989 numMergedOcc 0
39 mol 152 unq 2 iso 0 dist 8.35555 7.78913 8.60521 9.75376 9.48674 13.909 numMergedOcc 0
40 mol 152 unq 3 iso 0 dist 8.35555 5.70788 6.39031 9.75376 9.48674 6.69469 numMergedOcc 0
41 mol 156 unq 0 iso 0 dist 5.38091 6.44255 5.90883 3.79489 5.22104 6.69196 numMergedOcc 0
42 mol 156 unq 1 iso 0 dist 5.38091 5.82636 8.06913 3.79489 5.22104 7.91467 numMergedOcc 0
43 mol 162 unq 0 iso 0 dist 6.20182 6.69868 8.53374 4.51281 9.56342 9.586 numMergedOcc 0
44 mol 163 unq 0 iso 0 dist 8.38738 6.94217 7.3546 4.2768 9.40912 6.08019 numMergedOcc 0
45 mol 175 unq 0 iso 0 dist 8.0154 12.3408 7.32419 13.8965 7.6741 6.41193 numMergedOcc 0
46 mol 175 unq 1 iso 0 dist 8.0154 8.68081 8.31961 13.8965 7.6741 10.568 numMergedOcc 0
47 mol 184 unq 0 iso 0 dist 8.77887 5.16512 9.05835 8.36988 9.12454 6.55448 numMergedOcc 0
48 mol 218 unq 0 iso 0 dist 8.0751 7.85475 8.22792 6.24608 5.4621 9.11917 numMergedOcc 0
49 mol 218 unq 1 iso 0 dist 8.0751 7.85475 8.22792 12.235 8.91819 10.6889 numMergedOcc 0
50 mol 218 unq 2 iso 0 dist 6.29367 6.90702 8.93185 10.1632 8.98941 9.11917 numMergedOcc 0
51 mol 218 unq 3 iso 0 dist 6.29367 6.90702 8.93185 6.67144 6.45381 10.6889 numMergedOcc 0
52 mol 218 unq 4 iso 0 dist 8.86175 9.46742 9.06334 9.9009 6.62738 3.98561 numMergedOcc 0
53 mol 218 unq 5 iso 0 dist 8.86175 9.46742 9.06334 11.0018 7.13254 5.11748 numMergedOcc 0
54 mol 218 unq 6 iso 0 dist 5.76954 10.4526 8.93185 13.1733 8.98941 9.11917 numMergedOcc 0
55 mol 218 unq 7 iso 0 dist 5.76954 10.4526 8.93185 8.38909 6.45381 10.6889 numMergedOcc 0
56 mol 218 unq 8 iso 0 dist 6.29511 11.438 9.06334 10.3884 6.62738 3.98561 numMergedOcc 0
57 mol 218 unq 9 iso 0 dist 6.29511 11.438 9.06334 11.2389 7.13254 5.11748 numMergedOcc 0
58 mol 218 unq 10 iso 0 dist 9.20961 8.94041 8.93185 15.3828 8.98941 9.11917 numMergedOcc 0
59 mol 218 unq 11 iso 0 dist 9.20961 8.94041 8.93185 12.4463 6.45381 10.6889 numMergedOcc 0
60 mol 252 unq 0 iso 0 dist 6.86945 7.63376 8.55481 9.93981 8.38453 14.8966 numMergedOcc 0
61 mol 264 unq 0 iso 0 dist 6.04162 6.84156 5.74568 5.82362 8.78525 7.06901 numMergedOcc 0
62 mol 264 unq 1 iso 0 dist 6.14323 9.37297 5.74568 10.6043 8.78525 7.06901 numMergedOcc 0
