0 mol 24 unq 0 iso 0 dist 6.60423 6.58998 9.38831 4.32034 9.69752 10.025 8.66248 9.41655 15.0537 7.02381 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.60423 6.58998 9.38831 4.32034 9.69752 10.025 6.73521 6.803 12.8421 7.18485 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.60423 6.58998 9.38831 8.52463 9.36461 6.99746 8.66248 9.41655 15.0537 14.1137 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.60423 6.58998 9.38831 8.52463 9.36461 6.99746 6.73521 6.803 12.8421 13.4584 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 7.83786 11.0493 9.38831 9.6469 9.69752 10.025 10.0118 9.41655 15.0537 7.02381 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 7.83786 11.0493 9.38831 9.6469 9.69752 10.025 6.07594 6.803 12.8421 7.18485 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 7.83786 11.0493 9.38831 14.6654 9.36461 6.99746 10.0118 9.41655 15.0537 14.1137 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 7.83786 11.0493 9.38831 14.6654 9.36461 6.99746 6.07594 6.803 12.8421 13.4584 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 4.93188 9.48345 9.40479 5.11617 4.90592 6.99746 13.5399 9.65174 13.3652 9.63925 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 4.93188 9.48345 9.40479 10.8238 8.16324 7.05541 13.5399 9.65174 13.3652 12.5427 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 4.93188 14.4162 9.58012 5.11617 4.90592 11.8996 13.5399 9.65174 6.79749 9.63925 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 4.93188 14.4162 9.58012 10.8238 8.16324 9.15493 13.5399 9.65174 6.79749 12.5427 numMergedOcc 0
12 mol 24 unq 12 iso 0 dist 9.24958 13.1456 9.40479 13.2229 4.90592 6.99746 15.0923 9.65174 13.3652 9.63925 numMergedOcc 0
13 mol 24 unq 13 iso 0 dist 9.24958 13.1456 9.40479 6.7828 8.16324 7.05541 15.0923 9.65174 13.3652 12.5427 numMergedOcc 0
14 mol 24 unq 14 iso 0 dist 9.24958 10.0655 9.58012 13.2229 4.90592 11.8996 15.0923 9.65174 6.79749 9.63925 numMergedOcc 0
15 mol 24 unq 15 iso 0 dist 9.24958 10.0655 9.58012 6.7828 8.16324 9.15493 15.0923 9.65174 6.79749 12.5427 numMergedOcc 0
16 mol 28 unq 0 iso 0 dist 7.28416 4.74049 9.72965 8.4285 7.40415 12.67 4.55829 8.75468 7.39132 10.4406 numMergedOcc 0
17 mol 28 unq 1 iso 0 dist 7.28416 4.74049 9.72965 8.4285 7.40415 12.67 5.13816 7.62989 5.28861 12.0524 numMergedOcc 0
18 mol 28 unq 2 iso 0 dist 7.28416 4.74049 9.72965 8.4285 7.40415 12.67 7.07342 5.70238 6.94261 10.0581 numMergedOcc 0
19 mol 28 unq 3 iso 0 dist 7.28416 10.2179 5.63315 8.4285 7.40415 7.00226 4.55829 8.75468 13.2225 10.4406 numMergedOcc 0
20 mol 28 unq 4 iso 0 dist 7.28416 10.2179 5.63315 8.4285 7.40415 7.00226 5.13816 7.62989 12.3695 12.0524 numMergedOcc 0
21 mol 28 unq 5 iso 0 dist 7.28416 10.2179 5.63315 8.4285 7.40415 7.00226 7.07342 5.70238 6.33375 10.0581 numMergedOcc 0
22 mol 28 unq 6 iso 0 dist 7.28416 7.01194 9.8465 8.4285 7.40415 5.93722 4.55829 8.75468 10.8134 10.4406 numMergedOcc 0
23 mol 28 unq 7 iso 0 dist 7.28416 7.01194 9.8465 8.4285 7.40415 5.93722 5.13816 7.62989 11.956 12.0524 numMergedOcc 0
24 mol 28 unq 8 iso 0 dist 7.28416 7.01194 9.8465 8.4285 7.40415 5.93722 7.07342 5.70238 8.99305 10.0581 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 8.03303 8.92736 8.58543 14.6243 7.62738 15.4757 6.28792 8.59337 12.2331 12.1293 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 8.03303 8.92736 8.58543 14.6243 7.62738 15.4757 4.4893 7.66942 4.53496 15.0139 numMergedOcc 0
27 mol 92 unq 0 iso 0 dist 8.65802 12.1157 8.03028 13.534 8.57827 12.6909 10.3949 7.87729 13.3357 4.15826 numMergedOcc 0
28 mol 92 unq 1 iso 0 dist 8.65802 12.1157 8.03028 5.83515 7.94453 7.57205 10.3949 7.87729 13.3357 10.1482 numMergedOcc 0
29 mol 92 unq 2 iso 0 dist 8.65802 7.23437 7.39754 13.534 8.57827 15.1698 10.3949 7.87729 13.7136 4.15826 numMergedOcc 0
30 mol 92 unq 3 iso 0 dist 8.65802 7.23437 7.39754 5.83515 7.94453 6.82081 10.3949 7.87729 13.7136 10.1482 numMergedOcc 0
31 mol 93 unq 0 iso 0 dist 9.81831 11.6865 5.51624 4.4022 7.62611 11.4196 8.13232 6.46217 10.1484 6.4154 numMergedOcc 0
32 mol 93 unq 1 iso 0 dist 9.81831 12.2598 7.8674 4.4022 7.62611 8.05783 8.13232 6.46217 10.2139 6.4154 numMergedOcc 0
33 mol 93 unq 2 iso 0 dist 9.12858 7.64463 5.51624 8.96224 7.62611 11.4196 9.79899 6.46217 10.1484 6.4154 numMergedOcc 0
34 mol 93 unq 3 iso 0 dist 9.12858 14.8533 7.8674 8.96224 7.62611 8.05783 9.79899 6.46217 10.2139 6.4154 numMergedOcc 0
35 mol 93 unq 4 iso 0 dist 9.4523 8.29171 5.51624 10.3849 7.62611 11.4196 13.6379 6.46217 10.1484 6.4154 numMergedOcc 0
36 mol 93 unq 5 iso 0 dist 9.4523 12.7936 7.8674 10.3849 7.62611 8.05783 13.6379 6.46217 10.2139 6.4154 numMergedOcc 0
37 mol 109 unq 0 iso 0 dist 8.67766 11.8348 9.92553 7.20706 6.76575 10.9279 10.8085 9.67274 9.65072 4.8632 numMergedOcc 0
38 mol 109 unq 1 iso 0 dist 8.0831 15.0307 9.92553 5.35728 6.76575 10.9279 10.1337 9.67274 9.65072 4.8632 numMergedOcc 0
39 mol 147 unq 0 iso 0 dist 5.49226 9.02993 9.23528 11.1681 7.25644 15.9875 4.19634 7.19893 9.20965 13.5462 numMergedOcc 0
40 mol 147 unq 1 iso 0 dist 5.49226 9.02993 9.23528 11.1681 7.25644 15.9875 4.45407 6.37938 4.60996 13.2259 numMergedOcc 0
41 mol 147 unq 2 iso 0 dist 6.28351 14.4247 9.23528 5.50251 7.25644 15.9875 10.2041 7.19893 9.20965 13.5462 numMergedOcc 0
42 mol 147 unq 3 iso 0 dist 6.28351 14.4247 9.23528 5.50251 7.25644 15.9875 10.5141 6.37938 4.60996 13.2259 numMergedOcc 0
43 mol 156 unq 0 iso 0 dist 5.38091 6.44255 5.90883 5.81563 7.46845 11.3995 3.79489 5.22104 6.69196 5.64188 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 5.38091 5.82636 8.06913 5.81563 7.46845 11.6326 3.79489 5.22104 7.91467 5.64188 numMergedOcc 0
45 mol 162 unq 0 iso 0 dist 6.20182 6.69868 8.53374 4.20425 7.14263 3.76192 4.51281 9.56342 9.586 6.17752 numMergedOcc 0
46 mol 162 unq 1 iso 0 dist 6.20182 6.69868 8.53374 6.07158 8.57005 11.41 4.51281 9.56342 9.586 8.7961 numMergedOcc 0
47 mol 175 unq 0 iso 0 dist 8.0154 12.3408 7.32419 6.29885 8.05247 11.2348 13.8965 7.6741 6.41193 10.297 numMergedOcc 0
48 mol 175 unq 1 iso 0 dist 8.0154 12.3408 7.32419 7.27408 9.71028 8.94702 13.8965 7.6741 6.41193 11.8094 numMergedOcc 0
49 mol 175 unq 2 iso 0 dist 8.0154 8.68081 8.31961 6.29885 8.05247 9.23758 13.8965 7.6741 10.568 10.297 numMergedOcc 0
50 mol 175 unq 3 iso 0 dist 8.0154 8.68081 8.31961 7.27408 9.71028 4.06277 13.8965 7.6741 10.568 11.8094 numMergedOcc 0
51 mol 218 unq 0 iso 0 dist 6.29367 6.90702 8.93185 4.92618 8.3087 9.99277 10.1632 8.98941 9.11917 8.98584 numMergedOcc 0
52 mol 218 unq 1 iso 0 dist 6.29367 6.90702 8.93185 4.92618 8.3087 9.99277 6.67144 6.45381 10.6889 3.90135 numMergedOcc 0
53 mol 218 unq 2 iso 0 dist 8.86175 9.46742 9.06334 4.92618 9.32945 7.21841 9.9009 6.62738 3.98561 7.3057 numMergedOcc 0
54 mol 218 unq 3 iso 0 dist 8.86175 9.46742 9.06334 4.92618 9.32945 7.21841 11.0018 7.13254 5.11748 10.5867 numMergedOcc 0
55 mol 218 unq 4 iso 0 dist 5.76954 10.4526 8.93185 7.84019 8.3087 9.99277 13.1733 8.98941 9.11917 8.98584 numMergedOcc 0
56 mol 218 unq 5 iso 0 dist 5.76954 10.4526 8.93185 7.84019 8.3087 9.99277 8.38909 6.45381 10.6889 3.90135 numMergedOcc 0
57 mol 218 unq 6 iso 0 dist 6.29511 11.438 9.06334 7.84019 9.32945 7.21841 10.3884 6.62738 3.98561 7.3057 numMergedOcc 0
58 mol 218 unq 7 iso 0 dist 6.29511 11.438 9.06334 7.84019 9.32945 7.21841 11.2389 7.13254 5.11748 10.5867 numMergedOcc 0
59 mol 218 unq 8 iso 0 dist 9.20961 8.94041 8.93185 10.9043 8.3087 9.99277 15.3828 8.98941 9.11917 8.98584 numMergedOcc 0
60 mol 218 unq 9 iso 0 dist 9.20961 8.94041 8.93185 10.9043 8.3087 9.99277 12.4463 6.45381 10.6889 3.90135 numMergedOcc 0
61 mol 252 unq 0 iso 0 dist 6.86945 7.63376 8.55481 6.35641 7.39391 12.0545 9.93981 8.38453 14.8966 3.99887 numMergedOcc 0
62 mol 264 unq 0 iso 0 dist 6.04162 6.84156 5.74568 6.26382 7.21655 11.5512 5.82362 8.78525 7.06901 10.197 numMergedOcc 0
63 mol 264 unq 1 iso 0 dist 6.14323 9.37297 5.74568 5.24812 7.21655 11.5512 10.6043 8.78525 7.06901 10.197 numMergedOcc 0
