0 mol 24 unq 0 iso 0 dist 6.60423 7.05502 7.83786 8.66248 9.41655 10.0118 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 7.83786 7.05502 6.60423 10.0118 9.41655 8.66248 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.60423 7.05502 7.83786 6.73521 6.803 6.07594 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 7.83786 7.05502 6.60423 6.07594 6.803 6.73521 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 4.93188 12.3067 9.24958 13.5399 9.65174 15.0923 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 9.24958 12.3067 4.93188 15.0923 9.65174 13.5399 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 8.7817 5.26258 7.55415 12.6119 7.78893 10.5615 numMergedOcc 0
7 mol 30 unq 0 iso 1 dist 7.55415 5.26258 8.7817 10.5615 7.78893 12.6119 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 8.7817 5.26258 7.55415 11.8413 5.85146 7.87211 numMergedOcc 0
9 mol 30 unq 1 iso 1 dist 7.55415 5.26258 8.7817 7.87211 5.85146 11.8413 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 9.96399 7.29309 7.55695 9.25611 6.46718 5.42423 numMergedOcc 0
11 mol 60 unq 0 iso 1 dist 7.55695 7.29309 9.96399 5.42423 6.46718 9.25611 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 9.96399 12.2509 8.82176 9.25611 6.46718 7.1082 numMergedOcc 0
13 mol 60 unq 1 iso 1 dist 8.82176 12.2509 9.96399 7.1082 6.46718 9.25611 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 7.55695 5.00018 8.82176 5.42423 6.46718 7.1082 numMergedOcc 0
15 mol 60 unq 1 iso 1 dist 8.82176 5.00018 7.55695 7.1082 6.46718 5.42423 numMergedOcc 0
16 mol 70 unq 0 iso 0 dist 9.31969 5.22626 6.54023 12.0751 7.34145 6.93285 numMergedOcc 0
17 mol 70 unq 0 iso 1 dist 6.54023 5.22626 9.31969 6.93285 7.34145 12.0751 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 8.00777 4.26409 7.1589 5.76272 5.72961 8.18948 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 7.1589 4.26409 8.00777 8.18948 5.72961 5.76272 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 8.13232 6.46217 9.79899 numMergedOcc 0
21 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 9.79899 6.46217 8.13232 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 9.81831 9.91939 9.4523 8.13232 6.46217 13.6379 numMergedOcc 0
23 mol 93 unq 1 iso 1 dist 9.4523 9.91939 9.81831 13.6379 6.46217 8.13232 numMergedOcc 0
24 mol 93 unq 1 iso 0 dist 9.12858 7.66728 9.4523 9.79899 6.46217 13.6379 numMergedOcc 0
25 mol 93 unq 1 iso 1 dist 9.4523 7.66728 9.12858 13.6379 6.46217 9.79899 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 8.67766 6.48636 8.0831 10.8085 9.67274 10.1337 numMergedOcc 0
27 mol 109 unq 0 iso 1 dist 8.0831 6.48636 8.67766 10.1337 9.67274 10.8085 numMergedOcc 0
28 mol 112 unq 0 iso 0 dist 6.78038 4.8896 6.47042 6.35793 9.34689 4.69658 numMergedOcc 0
29 mol 112 unq 0 iso 1 dist 6.47042 4.8896 6.78038 4.69658 9.34689 6.35793 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 7.99857 4.85907 8.56342 10.4816 7.62197 13.2169 numMergedOcc 0
31 mol 119 unq 0 iso 1 dist 8.56342 4.85907 7.99857 13.2169 7.62197 10.4816 numMergedOcc 0
32 mol 147 unq 0 iso 0 dist 5.49226 7.15222 6.28351 4.19634 7.19893 10.2041 numMergedOcc 0
33 mol 147 unq 0 iso 1 dist 6.28351 7.15222 5.49226 10.2041 7.19893 4.19634 numMergedOcc 0
34 mol 147 unq 1 iso 0 dist 5.49226 7.15222 6.28351 4.45407 6.37938 10.5141 numMergedOcc 0
35 mol 147 unq 1 iso 1 dist 6.28351 7.15222 5.49226 10.5141 6.37938 4.45407 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 9.77552 7.65448 8.28642 10.6994 7.34557 4.68615 numMergedOcc 0
37 mol 152 unq 0 iso 1 dist 8.28642 7.65448 9.77552 4.68615 7.34557 10.6994 numMergedOcc 0
38 mol 198 unq 0 iso 0 dist 9.18635 11.6493 8.10985 9.65062 5.20846 4.27652 numMergedOcc 0
39 mol 198 unq 0 iso 1 dist 8.10985 11.6493 9.18635 4.27652 5.20846 9.65062 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 8.44861 7.38516 5.60393 9.96193 5.19567 4.30308 numMergedOcc 0
41 mol 205 unq 0 iso 1 dist 5.60393 7.38516 8.44861 4.30308 5.19567 9.96193 numMergedOcc 0
42 mol 218 unq 0 iso 0 dist 6.29367 4.72474 5.76954 10.1632 8.98941 13.1733 numMergedOcc 0
43 mol 218 unq 0 iso 1 dist 5.76954 4.72474 6.29367 13.1733 8.98941 10.1632 numMergedOcc 0
44 mol 218 unq 1 iso 0 dist 6.29367 4.72474 5.76954 6.67144 6.45381 8.38909 numMergedOcc 0
45 mol 218 unq 1 iso 1 dist 5.76954 4.72474 6.29367 8.38909 6.45381 6.67144 numMergedOcc 0
46 mol 218 unq 2 iso 0 dist 6.29367 6.17651 9.20961 10.1632 8.98941 15.3828 numMergedOcc 0
47 mol 218 unq 2 iso 1 dist 9.20961 6.17651 6.29367 15.3828 8.98941 10.1632 numMergedOcc 0
48 mol 218 unq 3 iso 0 dist 6.29367 6.17651 9.20961 6.67144 6.45381 12.4463 numMergedOcc 0
49 mol 218 unq 3 iso 1 dist 9.20961 6.17651 6.29367 12.4463 6.45381 6.67144 numMergedOcc 0
50 mol 218 unq 4 iso 0 dist 8.86175 4.72474 6.29511 9.9009 6.62738 10.3884 numMergedOcc 0
51 mol 218 unq 4 iso 1 dist 6.29511 4.72474 8.86175 10.3884 6.62738 9.9009 numMergedOcc 0
52 mol 218 unq 5 iso 0 dist 8.86175 4.72474 6.29511 11.0018 7.13254 11.2389 numMergedOcc 0
53 mol 218 unq 5 iso 1 dist 6.29511 4.72474 8.86175 11.2389 7.13254 11.0018 numMergedOcc 0
54 mol 218 unq 2 iso 0 dist 5.76954 5.61978 9.20961 13.1733 8.98941 15.3828 numMergedOcc 0
55 mol 218 unq 2 iso 1 dist 9.20961 5.61978 5.76954 15.3828 8.98941 13.1733 numMergedOcc 0
56 mol 218 unq 3 iso 0 dist 5.76954 5.61978 9.20961 8.38909 6.45381 12.4463 numMergedOcc 0
57 mol 218 unq 3 iso 1 dist 9.20961 5.61978 5.76954 12.4463 6.45381 8.38909 numMergedOcc 0
58 mol 230 unq 0 iso 0 dist 9.09271 5.53477 7.44838 12.9537 7.83105 10.9745 numMergedOcc 0
59 mol 230 unq 0 iso 1 dist 7.44838 5.53477 9.09271 10.9745 7.83105 12.9537 numMergedOcc 0
60 mol 230 unq 1 iso 0 dist 9.09271 5.53477 7.44838 12.3005 5.63025 8.05169 numMergedOcc 0
61 mol 230 unq 1 iso 1 dist 7.44838 5.53477 9.09271 8.05169 5.63025 12.3005 numMergedOcc 0
62 mol 252 unq 0 iso 0 dist 8.47784 13.2361 8.66469 17.5547 9.76731 11.5735 numMergedOcc 0
63 mol 252 unq 0 iso 1 dist 8.66469 13.2361 8.47784 11.5735 9.76731 17.5547 numMergedOcc 0
64 mol 252 unq 1 iso 0 dist 8.47784 13.2361 8.66469 14.3189 8.38599 6.19934 numMergedOcc 0
65 mol 252 unq 1 iso 1 dist 8.66469 13.2361 8.47784 6.19934 8.38599 14.3189 numMergedOcc 0
66 mol 258 unq 0 iso 0 dist 8.15467 4.26007 9.1925 5.82277 9.12447 4.83605 numMergedOcc 0
67 mol 258 unq 0 iso 1 dist 9.1925 4.26007 8.15467 4.83605 9.12447 5.82277 numMergedOcc 0
68 mol 264 unq 0 iso 0 dist 6.04162 4.92077 6.14323 5.82362 8.78525 10.6043 numMergedOcc 0
69 mol 264 unq 0 iso 1 dist 6.14323 4.92077 6.04162 10.6043 8.78525 5.82362 numMergedOcc 0
70 mol 277 unq 0 iso 0 dist 6.57903 6.59123 9.65707 14.3711 8.78893 13.63 numMergedOcc 0
71 mol 277 unq 0 iso 1 dist 9.65707 6.59123 6.57903 13.63 8.78893 14.3711 numMergedOcc 0
