0 mol 24 unq 0 iso 0 dist 6.60423 7.05502 7.83786 4.32034 9.69752 9.6469 8.66248 9.41655 10.0118 7.02381 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 7.83786 7.05502 6.60423 9.6469 9.69752 4.32034 10.0118 9.41655 8.66248 7.02381 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.60423 7.05502 7.83786 4.32034 9.69752 9.6469 6.73521 6.803 6.07594 7.18485 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 7.83786 7.05502 6.60423 9.6469 9.69752 4.32034 6.07594 6.803 6.73521 7.18485 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.60423 7.05502 7.83786 8.52463 9.36461 14.6654 8.66248 9.41655 10.0118 14.1137 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 7.83786 7.05502 6.60423 14.6654 9.36461 8.52463 10.0118 9.41655 8.66248 14.1137 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.60423 7.05502 7.83786 8.52463 9.36461 14.6654 6.73521 6.803 6.07594 13.4584 numMergedOcc 0
7 mol 24 unq 3 iso 1 dist 7.83786 7.05502 6.60423 14.6654 9.36461 8.52463 6.07594 6.803 6.73521 13.4584 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 4.93188 12.3067 9.24958 5.11617 4.90592 13.2229 13.5399 9.65174 15.0923 9.63925 numMergedOcc 0
9 mol 24 unq 4 iso 1 dist 9.24958 12.3067 4.93188 13.2229 4.90592 5.11617 15.0923 9.65174 13.5399 9.63925 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 4.93188 12.3067 9.24958 10.8238 8.16324 6.7828 13.5399 9.65174 15.0923 12.5427 numMergedOcc 0
11 mol 24 unq 5 iso 1 dist 9.24958 12.3067 4.93188 6.7828 8.16324 10.8238 15.0923 9.65174 13.5399 12.5427 numMergedOcc 0
12 mol 60 unq 0 iso 0 dist 9.96399 7.29309 7.55695 11.2415 4.65127 5.94827 9.25611 6.46718 5.42423 3.99942 numMergedOcc 0
13 mol 60 unq 0 iso 1 dist 7.55695 7.29309 9.96399 5.94827 4.65127 11.2415 5.42423 6.46718 9.25611 3.99942 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 9.96399 12.2509 8.82176 11.2415 4.65127 5.32257 9.25611 6.46718 7.1082 3.99942 numMergedOcc 0
15 mol 60 unq 1 iso 1 dist 8.82176 12.2509 9.96399 5.32257 4.65127 11.2415 7.1082 6.46718 9.25611 3.99942 numMergedOcc 0
16 mol 60 unq 1 iso 0 dist 7.55695 5.00018 8.82176 5.94827 4.65127 5.32257 5.42423 6.46718 7.1082 3.99942 numMergedOcc 0
17 mol 60 unq 1 iso 1 dist 8.82176 5.00018 7.55695 5.32257 4.65127 5.94827 7.1082 6.46718 5.42423 3.99942 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 8.00777 4.26409 7.1589 11.165 8.70863 9.29301 5.76272 5.72961 8.18948 11.5785 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 7.1589 4.26409 8.00777 9.29301 8.70863 11.165 8.18948 5.72961 5.76272 11.5785 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 4.4022 7.62611 8.96224 8.13232 6.46217 9.79899 6.4154 numMergedOcc 0
21 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 8.96224 7.62611 4.4022 9.79899 6.46217 8.13232 6.4154 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 9.81831 9.91939 9.4523 4.4022 7.62611 10.3849 8.13232 6.46217 13.6379 6.4154 numMergedOcc 0
23 mol 93 unq 1 iso 1 dist 9.4523 9.91939 9.81831 10.3849 7.62611 4.4022 13.6379 6.46217 8.13232 6.4154 numMergedOcc 0
24 mol 93 unq 1 iso 0 dist 9.12858 7.66728 9.4523 8.96224 7.62611 10.3849 9.79899 6.46217 13.6379 6.4154 numMergedOcc 0
25 mol 93 unq 1 iso 1 dist 9.4523 7.66728 9.12858 10.3849 7.62611 8.96224 13.6379 6.46217 9.79899 6.4154 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 8.67766 6.48636 8.0831 7.20706 6.76575 5.35728 10.8085 9.67274 10.1337 4.8632 numMergedOcc 0
27 mol 109 unq 0 iso 1 dist 8.0831 6.48636 8.67766 5.35728 6.76575 7.20706 10.1337 9.67274 10.8085 4.8632 numMergedOcc 0
28 mol 147 unq 0 iso 0 dist 5.49226 7.15222 6.28351 11.1681 7.25644 5.50251 4.19634 7.19893 10.2041 13.5462 numMergedOcc 0
29 mol 147 unq 0 iso 1 dist 6.28351 7.15222 5.49226 5.50251 7.25644 11.1681 10.2041 7.19893 4.19634 13.5462 numMergedOcc 0
30 mol 147 unq 1 iso 0 dist 5.49226 7.15222 6.28351 11.1681 7.25644 5.50251 4.45407 6.37938 10.5141 13.2259 numMergedOcc 0
31 mol 147 unq 1 iso 1 dist 6.28351 7.15222 5.49226 5.50251 7.25644 11.1681 10.5141 6.37938 4.45407 13.2259 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 8.44861 7.38516 5.60393 13.0658 9.17946 14.4523 9.96193 5.19567 4.30308 13.6793 numMergedOcc 0
33 mol 205 unq 0 iso 1 dist 5.60393 7.38516 8.44861 14.4523 9.17946 13.0658 4.30308 5.19567 9.96193 13.6793 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 6.29367 4.72474 5.76954 4.92618 8.3087 7.84019 10.1632 8.98941 13.1733 8.98584 numMergedOcc 0
35 mol 218 unq 0 iso 1 dist 5.76954 4.72474 6.29367 7.84019 8.3087 4.92618 13.1733 8.98941 10.1632 8.98584 numMergedOcc 0
36 mol 218 unq 1 iso 0 dist 6.29367 4.72474 5.76954 4.92618 8.3087 7.84019 6.67144 6.45381 8.38909 3.90135 numMergedOcc 0
37 mol 218 unq 1 iso 1 dist 5.76954 4.72474 6.29367 7.84019 8.3087 4.92618 8.38909 6.45381 6.67144 3.90135 numMergedOcc 0
38 mol 218 unq 2 iso 0 dist 6.29367 6.17651 9.20961 4.92618 8.3087 10.9043 10.1632 8.98941 15.3828 8.98584 numMergedOcc 0
39 mol 218 unq 2 iso 1 dist 9.20961 6.17651 6.29367 10.9043 8.3087 4.92618 15.3828 8.98941 10.1632 8.98584 numMergedOcc 0
40 mol 218 unq 3 iso 0 dist 6.29367 6.17651 9.20961 4.92618 8.3087 10.9043 6.67144 6.45381 12.4463 3.90135 numMergedOcc 0
41 mol 218 unq 3 iso 1 dist 9.20961 6.17651 6.29367 10.9043 8.3087 4.92618 12.4463 6.45381 6.67144 3.90135 numMergedOcc 0
42 mol 218 unq 4 iso 0 dist 8.86175 4.72474 6.29511 4.92618 9.32945 7.84019 9.9009 6.62738 10.3884 7.3057 numMergedOcc 0
43 mol 218 unq 4 iso 1 dist 6.29511 4.72474 8.86175 7.84019 9.32945 4.92618 10.3884 6.62738 9.9009 7.3057 numMergedOcc 0
44 mol 218 unq 5 iso 0 dist 8.86175 4.72474 6.29511 4.92618 9.32945 7.84019 11.0018 7.13254 11.2389 10.5867 numMergedOcc 0
45 mol 218 unq 5 iso 1 dist 6.29511 4.72474 8.86175 7.84019 9.32945 4.92618 11.2389 7.13254 11.0018 10.5867 numMergedOcc 0
46 mol 218 unq 2 iso 0 dist 5.76954 5.61978 9.20961 7.84019 8.3087 10.9043 13.1733 8.98941 15.3828 8.98584 numMergedOcc 0
47 mol 218 unq 2 iso 1 dist 9.20961 5.61978 5.76954 10.9043 8.3087 7.84019 15.3828 8.98941 13.1733 8.98584 numMergedOcc 0
48 mol 218 unq 3 iso 0 dist 5.76954 5.61978 9.20961 7.84019 8.3087 10.9043 8.38909 6.45381 12.4463 3.90135 numMergedOcc 0
49 mol 218 unq 3 iso 1 dist 9.20961 5.61978 5.76954 10.9043 8.3087 7.84019 12.4463 6.45381 8.38909 3.90135 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 6.04162 4.92077 6.14323 6.26382 7.21655 5.24812 5.82362 8.78525 10.6043 10.197 numMergedOcc 0
51 mol 264 unq 0 iso 1 dist 6.14323 4.92077 6.04162 5.24812 7.21655 6.26382 10.6043 8.78525 5.82362 10.197 numMergedOcc 0
52 mol 277 unq 0 iso 0 dist 6.57903 6.59123 9.65707 6.28695 7.85414 4.39413 14.3711 8.78893 13.63 12.1127 numMergedOcc 0
53 mol 277 unq 0 iso 1 dist 9.65707 6.59123 6.57903 4.39413 7.85414 6.28695 13.63 8.78893 14.3711 12.1127 numMergedOcc 0
