0 mol 24 unq 0 iso 0 dist 4.93188 12.3067 9.24958 14.4162 9.58012 10.0655 8.23075 4.21283 10.551 8.56274 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.24958 12.3067 4.93188 10.0655 9.58012 14.4162 10.551 4.21283 8.23075 8.56274 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.93832 8.13395 8.60739 7.05402 7.31982 5.48048 7.39848 6.59887 11.4251 9.82307 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.60739 8.13395 9.93832 5.48048 7.31982 7.05402 11.4251 6.59887 7.39848 9.82307 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 11.6865 5.51624 7.64463 14.4051 5.99863 14.2439 9.30843 numMergedOcc 0
5 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 7.64463 5.51624 11.6865 14.2439 5.99863 14.4051 9.30843 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 9.81831 6.30447 9.12858 12.2598 7.8674 14.8533 14.4051 5.99863 14.2439 6.25522 numMergedOcc 0
7 mol 93 unq 1 iso 1 dist 9.12858 6.30447 9.81831 14.8533 7.8674 12.2598 14.2439 5.99863 14.4051 6.25522 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 9.81831 6.30447 9.12858 12.2598 7.8674 14.8533 15.275 6.15015 15.2216 7.87145 numMergedOcc 0
9 mol 93 unq 2 iso 1 dist 9.12858 6.30447 9.81831 14.8533 7.8674 12.2598 15.2216 6.15015 15.275 7.87145 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 9.81831 6.30447 9.12858 12.2598 7.8674 14.8533 18.8402 10.9803 19.9253 9.30914 numMergedOcc 0
11 mol 93 unq 3 iso 1 dist 9.12858 6.30447 9.81831 14.8533 7.8674 12.2598 19.9253 10.9803 18.8402 9.30914 numMergedOcc 0
12 mol 93 unq 4 iso 0 dist 9.81831 9.91939 9.4523 11.6865 5.51624 8.29171 14.4051 5.99863 11.2863 9.30843 numMergedOcc 0
13 mol 93 unq 4 iso 1 dist 9.4523 9.91939 9.81831 8.29171 5.51624 11.6865 11.2863 5.99863 14.4051 9.30843 numMergedOcc 0
14 mol 93 unq 5 iso 0 dist 9.81831 9.91939 9.4523 12.2598 7.8674 12.7936 14.4051 5.99863 11.2863 6.25522 numMergedOcc 0
15 mol 93 unq 5 iso 1 dist 9.4523 9.91939 9.81831 12.7936 7.8674 12.2598 11.2863 5.99863 14.4051 6.25522 numMergedOcc 0
16 mol 93 unq 6 iso 0 dist 9.81831 9.91939 9.4523 12.2598 7.8674 12.7936 15.275 6.15015 14.6786 7.87145 numMergedOcc 0
17 mol 93 unq 6 iso 1 dist 9.4523 9.91939 9.81831 12.7936 7.8674 12.2598 14.6786 6.15015 15.275 7.87145 numMergedOcc 0
18 mol 93 unq 7 iso 0 dist 9.81831 9.91939 9.4523 12.2598 7.8674 12.7936 18.8402 10.9803 19.377 9.30914 numMergedOcc 0
19 mol 93 unq 7 iso 1 dist 9.4523 9.91939 9.81831 12.7936 7.8674 12.2598 19.377 10.9803 18.8402 9.30914 numMergedOcc 0
20 mol 93 unq 4 iso 0 dist 9.12858 7.66728 9.4523 7.64463 5.51624 8.29171 14.2439 5.99863 11.2863 9.30843 numMergedOcc 0
21 mol 93 unq 4 iso 1 dist 9.4523 7.66728 9.12858 8.29171 5.51624 7.64463 11.2863 5.99863 14.2439 9.30843 numMergedOcc 0
22 mol 93 unq 5 iso 0 dist 9.12858 7.66728 9.4523 14.8533 7.8674 12.7936 14.2439 5.99863 11.2863 6.25522 numMergedOcc 0
23 mol 93 unq 5 iso 1 dist 9.4523 7.66728 9.12858 12.7936 7.8674 14.8533 11.2863 5.99863 14.2439 6.25522 numMergedOcc 0
24 mol 93 unq 6 iso 0 dist 9.12858 7.66728 9.4523 14.8533 7.8674 12.7936 15.2216 6.15015 14.6786 7.87145 numMergedOcc 0
25 mol 93 unq 6 iso 1 dist 9.4523 7.66728 9.12858 12.7936 7.8674 14.8533 14.6786 6.15015 15.2216 7.87145 numMergedOcc 0
26 mol 93 unq 7 iso 0 dist 9.12858 7.66728 9.4523 14.8533 7.8674 12.7936 19.9253 10.9803 19.377 9.30914 numMergedOcc 0
27 mol 93 unq 7 iso 1 dist 9.4523 7.66728 9.12858 12.7936 7.8674 14.8533 19.377 10.9803 19.9253 9.30914 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 9.15431 7.58238 6.92648 7.21005 7.76594 11.5688 11.6414 9.93041 15.2551 4.48699 numMergedOcc 0
29 mol 131 unq 0 iso 1 dist 6.92648 7.58238 9.15431 11.5688 7.76594 7.21005 15.2551 9.93041 11.6414 4.48699 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 9.15431 13.2572 9.29384 7.21005 7.76594 15.7796 11.6414 9.93041 18.8134 4.48699 numMergedOcc 0
31 mol 131 unq 1 iso 1 dist 9.29384 13.2572 9.15431 15.7796 7.76594 7.21005 18.8134 9.93041 11.6414 4.48699 numMergedOcc 0
32 mol 131 unq 1 iso 0 dist 6.92648 6.63273 9.29384 11.5688 7.76594 15.7796 15.2551 9.93041 18.8134 4.48699 numMergedOcc 0
33 mol 131 unq 1 iso 1 dist 9.29384 6.63273 6.92648 15.7796 7.76594 11.5688 18.8134 9.93041 15.2551 4.48699 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 9.77552 7.65448 8.28642 7.2238 6.39031 5.59336 7.55934 6.69469 11.2397 9.48674 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 8.28642 7.65448 9.77552 5.59336 6.39031 7.2238 11.2397 6.69469 7.55934 9.48674 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 9.31851 7.14831 6.2319 13.6634 8.06913 10.7023 16.2484 7.91467 11.8936 5.22104 numMergedOcc 0
37 mol 156 unq 0 iso 1 dist 6.2319 7.14831 9.31851 10.7023 8.06913 13.6634 11.8936 7.91467 16.2484 5.22104 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 9.31851 9.98789 9.97732 13.6634 8.06913 9.00862 16.2484 7.91467 12.1503 5.22104 numMergedOcc 0
39 mol 156 unq 1 iso 1 dist 9.97732 9.98789 9.31851 9.00862 8.06913 13.6634 12.1503 7.91467 16.2484 5.22104 numMergedOcc 0
40 mol 156 unq 1 iso 0 dist 6.2319 6.31306 9.97732 10.7023 8.06913 9.00862 11.8936 7.91467 12.1503 5.22104 numMergedOcc 0
41 mol 156 unq 1 iso 1 dist 9.97732 6.31306 6.2319 9.00862 8.06913 10.7023 12.1503 7.91467 11.8936 5.22104 numMergedOcc 0
42 mol 194 unq 0 iso 0 dist 6.26839 8.0179 8.12346 6.66155 5.52678 6.12973 9.52922 7.82899 11.2599 5.13892 numMergedOcc 0
43 mol 194 unq 0 iso 1 dist 8.12346 8.0179 6.26839 6.12973 5.52678 6.66155 11.2599 7.82899 9.52922 5.13892 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 6.26839 8.0179 8.12346 6.66155 5.52678 6.12973 11.7672 10.0237 11.0369 5.78717 numMergedOcc 0
45 mol 194 unq 1 iso 1 dist 8.12346 8.0179 6.26839 6.12973 5.52678 6.66155 11.0369 10.0237 11.7672 5.78717 numMergedOcc 0
46 mol 194 unq 2 iso 0 dist 6.26839 8.0179 8.12346 5.4499 9.81666 11.0239 9.52922 7.82899 11.2599 8.2232 numMergedOcc 0
47 mol 194 unq 2 iso 1 dist 8.12346 8.0179 6.26839 11.0239 9.81666 5.4499 11.2599 7.82899 9.52922 8.2232 numMergedOcc 0
48 mol 194 unq 3 iso 0 dist 6.26839 14.6506 8.83356 6.66155 5.52678 13.0333 9.52922 7.82899 14.7152 5.13892 numMergedOcc 0
49 mol 194 unq 3 iso 1 dist 8.83356 14.6506 6.26839 13.0333 5.52678 6.66155 14.7152 7.82899 9.52922 5.13892 numMergedOcc 0
50 mol 194 unq 4 iso 0 dist 6.26839 14.6506 8.83356 6.66155 5.52678 13.0333 11.7672 10.0237 15.9798 5.78717 numMergedOcc 0
51 mol 194 unq 4 iso 1 dist 8.83356 14.6506 6.26839 13.0333 5.52678 6.66155 15.9798 10.0237 11.7672 5.78717 numMergedOcc 0
52 mol 194 unq 5 iso 0 dist 6.26839 14.6506 8.83356 5.4499 9.81666 18.6469 9.52922 7.82899 14.7152 8.2232 numMergedOcc 0
53 mol 194 unq 5 iso 1 dist 8.83356 14.6506 6.26839 18.6469 9.81666 5.4499 14.7152 7.82899 9.52922 8.2232 numMergedOcc 0
54 mol 194 unq 6 iso 0 dist 6.26839 8.48054 8.2654 6.66155 5.52678 10.1796 9.52922 7.82899 14.7929 5.13892 numMergedOcc 0
55 mol 194 unq 6 iso 1 dist 8.2654 8.48054 6.26839 10.1796 5.52678 6.66155 14.7929 7.82899 9.52922 5.13892 numMergedOcc 0
56 mol 194 unq 7 iso 0 dist 6.26839 8.48054 8.2654 6.66155 5.52678 10.1796 11.7672 10.0237 15.7836 5.78717 numMergedOcc 0
57 mol 194 unq 7 iso 1 dist 8.2654 8.48054 6.26839 10.1796 5.52678 6.66155 15.7836 10.0237 11.7672 5.78717 numMergedOcc 0
58 mol 194 unq 8 iso 0 dist 6.26839 8.48054 8.2654 5.4499 9.81666 13.5457 9.52922 7.82899 14.7929 8.2232 numMergedOcc 0
59 mol 194 unq 8 iso 1 dist 8.2654 8.48054 6.26839 13.5457 9.81666 5.4499 14.7929 7.82899 9.52922 8.2232 numMergedOcc 0
60 mol 194 unq 3 iso 0 dist 8.12346 13.5632 8.83356 6.12973 5.52678 13.0333 11.2599 7.82899 14.7152 5.13892 numMergedOcc 0
61 mol 194 unq 3 iso 1 dist 8.83356 13.5632 8.12346 13.0333 5.52678 6.12973 14.7152 7.82899 11.2599 5.13892 numMergedOcc 0
62 mol 194 unq 4 iso 0 dist 8.12346 13.5632 8.83356 6.12973 5.52678 13.0333 11.0369 10.0237 15.9798 5.78717 numMergedOcc 0
63 mol 194 unq 4 iso 1 dist 8.83356 13.5632 8.12346 13.0333 5.52678 6.12973 15.9798 10.0237 11.0369 5.78717 numMergedOcc 0
64 mol 194 unq 5 iso 0 dist 8.12346 13.5632 8.83356 11.0239 9.81666 18.6469 11.2599 7.82899 14.7152 8.2232 numMergedOcc 0
65 mol 194 unq 5 iso 1 dist 8.83356 13.5632 8.12346 18.6469 9.81666 11.0239 14.7152 7.82899 11.2599 8.2232 numMergedOcc 0
66 mol 194 unq 6 iso 0 dist 8.12346 6.26298 8.2654 6.12973 5.52678 10.1796 11.2599 7.82899 14.7929 5.13892 numMergedOcc 0
67 mol 194 unq 6 iso 1 dist 8.2654 6.26298 8.12346 10.1796 5.52678 6.12973 14.7929 7.82899 11.2599 5.13892 numMergedOcc 0
68 mol 194 unq 7 iso 0 dist 8.12346 6.26298 8.2654 6.12973 5.52678 10.1796 11.0369 10.0237 15.7836 5.78717 numMergedOcc 0
69 mol 194 unq 7 iso 1 dist 8.2654 6.26298 8.12346 10.1796 5.52678 6.12973 15.7836 10.0237 11.0369 5.78717 numMergedOcc 0
70 mol 194 unq 8 iso 0 dist 8.12346 6.26298 8.2654 11.0239 9.81666 13.5457 11.2599 7.82899 14.7929 8.2232 numMergedOcc 0
71 mol 194 unq 8 iso 1 dist 8.2654 6.26298 8.12346 13.5457 9.81666 11.0239 14.7929 7.82899 11.2599 8.2232 numMergedOcc 0
72 mol 194 unq 6 iso 0 dist 8.83356 11.6097 8.2654 13.0333 5.52678 10.1796 14.7152 7.82899 14.7929 5.13892 numMergedOcc 0
73 mol 194 unq 6 iso 1 dist 8.2654 11.6097 8.83356 10.1796 5.52678 13.0333 14.7929 7.82899 14.7152 5.13892 numMergedOcc 0
74 mol 194 unq 7 iso 0 dist 8.83356 11.6097 8.2654 13.0333 5.52678 10.1796 15.9798 10.0237 15.7836 5.78717 numMergedOcc 0
75 mol 194 unq 7 iso 1 dist 8.2654 11.6097 8.83356 10.1796 5.52678 13.0333 15.7836 10.0237 15.9798 5.78717 numMergedOcc 0
76 mol 194 unq 8 iso 0 dist 8.83356 11.6097 8.2654 18.6469 9.81666 13.5457 14.7152 7.82899 14.7929 8.2232 numMergedOcc 0
77 mol 194 unq 8 iso 1 dist 8.2654 11.6097 8.83356 13.5457 9.81666 18.6469 14.7929 7.82899 14.7152 8.2232 numMergedOcc 0
78 mol 237 unq 0 iso 0 dist 9.4811 7.94444 6.50471 6.46131 7.31113 9.59927 13.9223 5.15592 11.0948 9.61703 numMergedOcc 0
79 mol 237 unq 0 iso 1 dist 6.50471 7.94444 9.4811 9.59927 7.31113 6.46131 11.0948 5.15592 13.9223 9.61703 numMergedOcc 0
80 mol 252 unq 0 iso 0 dist 6.53679 6.0987 7.50201 6.28227 8.55481 5.25252 14.2216 14.8966 12.9602 8.38453 numMergedOcc 0
81 mol 252 unq 0 iso 1 dist 7.50201 6.0987 6.53679 5.25252 8.55481 6.28227 12.9602 14.8966 14.2216 8.38453 numMergedOcc 0
82 mol 264 unq 0 iso 0 dist 7.52281 8.96144 6.42588 4.48907 5.74568 10.1591 12.2625 7.06901 13.2341 8.78525 numMergedOcc 0
83 mol 264 unq 0 iso 1 dist 6.42588 8.96144 7.52281 10.1591 5.74568 4.48907 13.2341 7.06901 12.2625 8.78525 numMergedOcc 0
