0 mol 24 unq 0 iso 0 dist 6.60423 7.05502 7.83786 5.39241 8.62284 4.51549 8.66248 9.41655 10.0118 6.72423 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 7.83786 7.05502 6.60423 4.51549 8.62284 5.39241 10.0118 9.41655 8.66248 6.72423 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.60423 7.05502 7.83786 5.39241 8.62284 4.51549 6.73521 6.803 6.07594 4.0664 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 7.83786 7.05502 6.60423 4.51549 8.62284 5.39241 6.07594 6.803 6.73521 4.0664 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.7817 5.26258 7.55415 10.8374 8.58568 7.95173 12.6119 7.78893 10.5615 4.10948 numMergedOcc 0
5 mol 30 unq 0 iso 1 dist 7.55415 5.26258 8.7817 7.95173 8.58568 10.8374 10.5615 7.78893 12.6119 4.10948 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 8.7817 5.26258 7.55415 10.8374 8.58568 7.95173 11.8413 5.85146 7.87211 8.812 numMergedOcc 0
7 mol 30 unq 1 iso 1 dist 7.55415 5.26258 8.7817 7.95173 8.58568 10.8374 7.87211 5.85146 11.8413 8.812 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 8.58164 7.85041 9.67788 8.13232 6.46217 9.79899 11.5028 numMergedOcc 0
9 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 9.67788 7.85041 8.58164 9.79899 6.46217 8.13232 11.5028 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 9.81831 9.91939 9.4523 8.58164 7.85041 5.33106 8.13232 6.46217 13.6379 11.5028 numMergedOcc 0
11 mol 93 unq 1 iso 1 dist 9.4523 9.91939 9.81831 5.33106 7.85041 8.58164 13.6379 6.46217 8.13232 11.5028 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 9.12858 7.66728 9.4523 9.67788 7.85041 5.33106 9.79899 6.46217 13.6379 11.5028 numMergedOcc 0
13 mol 93 unq 1 iso 1 dist 9.4523 7.66728 9.12858 5.33106 7.85041 9.67788 13.6379 6.46217 9.79899 11.5028 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.99857 4.85907 8.56342 6.35763 9.87025 10.0197 10.4816 7.62197 13.2169 12.2671 numMergedOcc 0
15 mol 119 unq 0 iso 1 dist 8.56342 4.85907 7.99857 10.0197 9.87025 6.35763 13.2169 7.62197 10.4816 12.2671 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 7.99857 4.85907 8.56342 7.36192 5.85818 10.6679 10.4816 7.62197 13.2169 3.71283 numMergedOcc 0
17 mol 119 unq 1 iso 1 dist 8.56342 4.85907 7.99857 10.6679 5.85818 7.36192 13.2169 7.62197 10.4816 3.71283 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 5.49226 7.15222 6.28351 5.08802 5.1101 8.59354 4.19634 7.19893 10.2041 7.97454 numMergedOcc 0
19 mol 147 unq 0 iso 1 dist 6.28351 7.15222 5.49226 8.59354 5.1101 5.08802 10.2041 7.19893 4.19634 7.97454 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 5.49226 7.15222 6.28351 5.08802 5.1101 8.59354 4.45407 6.37938 10.5141 3.547 numMergedOcc 0
21 mol 147 unq 1 iso 1 dist 6.28351 7.15222 5.49226 8.59354 5.1101 5.08802 10.5141 6.37938 4.45407 3.547 numMergedOcc 0
22 mol 147 unq 2 iso 0 dist 5.49226 7.15222 6.28351 10.1972 7.01133 8.54341 4.19634 7.19893 10.2041 13.3536 numMergedOcc 0
23 mol 147 unq 2 iso 1 dist 6.28351 7.15222 5.49226 8.54341 7.01133 10.1972 10.2041 7.19893 4.19634 13.3536 numMergedOcc 0
24 mol 147 unq 3 iso 0 dist 5.49226 7.15222 6.28351 10.1972 7.01133 8.54341 4.45407 6.37938 10.5141 9.88741 numMergedOcc 0
25 mol 147 unq 3 iso 1 dist 6.28351 7.15222 5.49226 8.54341 7.01133 10.1972 10.5141 6.37938 4.45407 9.88741 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 9.18635 11.6493 8.10985 5.72073 8.15936 12.2117 9.65062 5.20846 4.27652 8.56728 numMergedOcc 0
27 mol 198 unq 0 iso 1 dist 8.10985 11.6493 9.18635 12.2117 8.15936 5.72073 4.27652 5.20846 9.65062 8.56728 numMergedOcc 0
28 mol 198 unq 1 iso 0 dist 9.18635 11.6493 8.10985 9.94078 8.16598 10.8191 9.65062 5.20846 4.27652 6.76174 numMergedOcc 0
29 mol 198 unq 1 iso 1 dist 8.10985 11.6493 9.18635 10.8191 8.16598 9.94078 4.27652 5.20846 9.65062 6.76174 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 8.44861 7.38516 5.60393 8.66809 5.42696 6.23291 9.96193 5.19567 4.30308 3.72865 numMergedOcc 0
31 mol 205 unq 0 iso 1 dist 5.60393 7.38516 8.44861 6.23291 5.42696 8.66809 4.30308 5.19567 9.96193 3.72865 numMergedOcc 0
32 mol 218 unq 0 iso 0 dist 6.29367 4.72474 5.76954 6.05563 6.86795 9.68444 10.1632 8.98941 13.1733 4.24855 numMergedOcc 0
33 mol 218 unq 0 iso 1 dist 5.76954 4.72474 6.29367 9.68444 6.86795 6.05563 13.1733 8.98941 10.1632 4.24855 numMergedOcc 0
34 mol 218 unq 1 iso 0 dist 6.29367 4.72474 5.76954 6.05563 6.86795 9.68444 6.67144 6.45381 8.38909 5.31276 numMergedOcc 0
35 mol 218 unq 1 iso 1 dist 5.76954 4.72474 6.29367 9.68444 6.86795 6.05563 8.38909 6.45381 6.67144 5.31276 numMergedOcc 0
36 mol 218 unq 2 iso 0 dist 6.29367 4.72474 5.76954 8.36122 6.61099 7.47048 10.1632 8.98941 13.1733 10.7049 numMergedOcc 0
37 mol 218 unq 2 iso 1 dist 5.76954 4.72474 6.29367 7.47048 6.61099 8.36122 13.1733 8.98941 10.1632 10.7049 numMergedOcc 0
38 mol 218 unq 3 iso 0 dist 6.29367 4.72474 5.76954 8.36122 6.61099 7.47048 6.67144 6.45381 8.38909 4.36581 numMergedOcc 0
39 mol 218 unq 3 iso 1 dist 5.76954 4.72474 6.29367 7.47048 6.61099 8.36122 8.38909 6.45381 6.67144 4.36581 numMergedOcc 0
40 mol 218 unq 4 iso 0 dist 6.29367 6.17651 9.20961 6.05563 6.86795 11.4148 10.1632 8.98941 15.3828 4.24855 numMergedOcc 0
41 mol 218 unq 4 iso 1 dist 9.20961 6.17651 6.29367 11.4148 6.86795 6.05563 15.3828 8.98941 10.1632 4.24855 numMergedOcc 0
42 mol 218 unq 5 iso 0 dist 6.29367 6.17651 9.20961 6.05563 6.86795 11.4148 6.67144 6.45381 12.4463 5.31276 numMergedOcc 0
43 mol 218 unq 5 iso 1 dist 9.20961 6.17651 6.29367 11.4148 6.86795 6.05563 12.4463 6.45381 6.67144 5.31276 numMergedOcc 0
44 mol 218 unq 6 iso 0 dist 6.29367 6.17651 9.20961 8.36122 6.61099 12.7963 10.1632 8.98941 15.3828 10.7049 numMergedOcc 0
45 mol 218 unq 6 iso 1 dist 9.20961 6.17651 6.29367 12.7963 6.61099 8.36122 15.3828 8.98941 10.1632 10.7049 numMergedOcc 0
46 mol 218 unq 7 iso 0 dist 6.29367 6.17651 9.20961 8.36122 6.61099 12.7963 6.67144 6.45381 12.4463 4.36581 numMergedOcc 0
47 mol 218 unq 7 iso 1 dist 9.20961 6.17651 6.29367 12.7963 6.61099 8.36122 12.4463 6.45381 6.67144 4.36581 numMergedOcc 0
48 mol 218 unq 4 iso 0 dist 5.76954 5.61978 9.20961 9.68444 6.86795 11.4148 13.1733 8.98941 15.3828 4.24855 numMergedOcc 0
49 mol 218 unq 4 iso 1 dist 9.20961 5.61978 5.76954 11.4148 6.86795 9.68444 15.3828 8.98941 13.1733 4.24855 numMergedOcc 0
50 mol 218 unq 5 iso 0 dist 5.76954 5.61978 9.20961 9.68444 6.86795 11.4148 8.38909 6.45381 12.4463 5.31276 numMergedOcc 0
51 mol 218 unq 5 iso 1 dist 9.20961 5.61978 5.76954 11.4148 6.86795 9.68444 12.4463 6.45381 8.38909 5.31276 numMergedOcc 0
52 mol 218 unq 6 iso 0 dist 5.76954 5.61978 9.20961 7.47048 6.61099 12.7963 13.1733 8.98941 15.3828 10.7049 numMergedOcc 0
53 mol 218 unq 6 iso 1 dist 9.20961 5.61978 5.76954 12.7963 6.61099 7.47048 15.3828 8.98941 13.1733 10.7049 numMergedOcc 0
54 mol 218 unq 7 iso 0 dist 5.76954 5.61978 9.20961 7.47048 6.61099 12.7963 8.38909 6.45381 12.4463 4.36581 numMergedOcc 0
55 mol 218 unq 7 iso 1 dist 9.20961 5.61978 5.76954 12.7963 6.61099 7.47048 12.4463 6.45381 8.38909 4.36581 numMergedOcc 0
56 mol 230 unq 0 iso 0 dist 9.09271 5.53477 7.44838 11.2344 8.85215 8.44099 12.3005 5.63025 8.05169 9.50055 numMergedOcc 0
57 mol 230 unq 0 iso 1 dist 7.44838 5.53477 9.09271 8.44099 8.85215 11.2344 8.05169 5.63025 12.3005 9.50055 numMergedOcc 0
58 mol 230 unq 1 iso 0 dist 9.09271 5.53477 7.44838 11.2344 8.85215 8.44099 12.9537 7.83105 10.9745 4.47722 numMergedOcc 0
59 mol 230 unq 1 iso 1 dist 7.44838 5.53477 9.09271 8.44099 8.85215 11.2344 10.9745 7.83105 12.9537 4.47722 numMergedOcc 0
60 mol 252 unq 0 iso 0 dist 8.47784 13.2361 8.66469 4.23801 5.2361 9.12442 17.5547 9.76731 11.5735 14.0295 numMergedOcc 0
61 mol 252 unq 0 iso 1 dist 8.66469 13.2361 8.47784 9.12442 5.2361 4.23801 11.5735 9.76731 17.5547 14.0295 numMergedOcc 0
62 mol 252 unq 1 iso 0 dist 8.47784 13.2361 8.66469 4.23801 5.2361 9.12442 14.3189 8.38599 6.19934 10.3309 numMergedOcc 0
63 mol 252 unq 1 iso 1 dist 8.66469 13.2361 8.47784 9.12442 5.2361 4.23801 6.19934 8.38599 14.3189 10.3309 numMergedOcc 0
64 mol 252 unq 2 iso 0 dist 8.47784 13.2361 8.66469 13.6996 5.57515 7.35945 17.5547 9.76731 11.5735 7.41325 numMergedOcc 0
65 mol 252 unq 2 iso 1 dist 8.66469 13.2361 8.47784 7.35945 5.57515 13.6996 11.5735 9.76731 17.5547 7.41325 numMergedOcc 0
66 mol 252 unq 3 iso 0 dist 8.47784 13.2361 8.66469 13.6996 5.57515 7.35945 14.3189 8.38599 6.19934 7.40276 numMergedOcc 0
67 mol 252 unq 3 iso 1 dist 8.66469 13.2361 8.47784 7.35945 5.57515 13.6996 6.19934 8.38599 14.3189 7.40276 numMergedOcc 0
68 mol 252 unq 4 iso 0 dist 8.47784 13.2361 8.66469 15.4395 8.28694 5.26003 17.5547 9.76731 11.5735 6.68865 numMergedOcc 0
69 mol 252 unq 4 iso 1 dist 8.66469 13.2361 8.47784 5.26003 8.28694 15.4395 11.5735 9.76731 17.5547 6.68865 numMergedOcc 0
70 mol 252 unq 5 iso 0 dist 8.47784 13.2361 8.66469 15.4395 8.28694 5.26003 14.3189 8.38599 6.19934 3.93498 numMergedOcc 0
71 mol 252 unq 5 iso 1 dist 8.66469 13.2361 8.47784 5.26003 8.28694 15.4395 6.19934 8.38599 14.3189 3.93498 numMergedOcc 0
72 mol 264 unq 0 iso 0 dist 6.04162 4.92077 6.14323 8.16326 9.42738 12.3807 5.82362 8.78525 10.6043 3.50016 numMergedOcc 0
73 mol 264 unq 0 iso 1 dist 6.14323 4.92077 6.04162 12.3807 9.42738 8.16326 10.6043 8.78525 5.82362 3.50016 numMergedOcc 0
74 mol 277 unq 0 iso 0 dist 6.57903 6.59123 9.65707 9.92201 7.25677 7.29899 14.3711 8.78893 13.63 6.50127 numMergedOcc 0
75 mol 277 unq 0 iso 1 dist 9.65707 6.59123 6.57903 7.29899 7.25677 9.92201 13.63 8.78893 14.3711 6.50127 numMergedOcc 0
