0 mol 26 unq 0 iso 0 dist 8.06929 4.76147 5.69955 12.2574 8.6385 9.78225 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.06929 12.2574 8.6385 4.76147 5.69955 9.78225 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.58514 5.93227 5.69955 12.8213 8.6385 9.78225 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 8.58514 12.8213 8.6385 5.93227 5.69955 9.78225 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 8.54955 12.613 9.96399 9.35097 7.55695 7.29309 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 8.54955 9.35097 7.55695 12.613 9.96399 7.29309 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 8.54955 12.613 9.96399 9.8648 8.82176 12.2509 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 8.54955 9.8648 8.82176 12.613 9.96399 12.2509 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 8.54955 9.35097 7.55695 9.8648 8.82176 5.00018 numMergedOcc 0
9 mol 60 unq 1 iso 1 dist 8.54955 9.8648 8.82176 9.35097 7.55695 5.00018 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.64047 13.4816 8.00777 12.1235 7.1589 4.26409 numMergedOcc 0
11 mol 85 unq 0 iso 1 dist 8.64047 12.1235 7.1589 13.4816 8.00777 4.26409 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 7.46327 12.3373 9.81831 11.6592 9.12858 6.30447 numMergedOcc 0
13 mol 93 unq 0 iso 1 dist 7.46327 11.6592 9.12858 12.3373 9.81831 6.30447 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 7.46327 12.3373 9.81831 6.09816 9.4523 9.91939 numMergedOcc 0
15 mol 93 unq 1 iso 1 dist 7.46327 6.09816 9.4523 12.3373 9.81831 9.91939 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 7.46327 11.6592 9.12858 6.09816 9.4523 7.66728 numMergedOcc 0
17 mol 93 unq 1 iso 1 dist 7.46327 6.09816 9.4523 11.6592 9.12858 7.66728 numMergedOcc 0
18 mol 94 unq 0 iso 0 dist 9.43351 4.28796 8.16733 6.14092 9.97569 7.49897 numMergedOcc 0
19 mol 94 unq 0 iso 1 dist 9.43351 6.14092 9.97569 4.28796 8.16733 7.49897 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.48788 6.69791 5.88354 6.7822 7.89665 4.50554 numMergedOcc 0
21 mol 98 unq 0 iso 1 dist 5.48788 6.7822 7.89665 6.69791 5.88354 4.50554 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 5.48788 6.69791 5.88354 9.86407 5.39354 7.40461 numMergedOcc 0
23 mol 98 unq 1 iso 1 dist 5.48788 9.86407 5.39354 6.69791 5.88354 7.40461 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 5.48788 6.69791 5.88354 10.9221 5.74854 7.72877 numMergedOcc 0
25 mol 98 unq 2 iso 1 dist 5.48788 10.9221 5.74854 6.69791 5.88354 7.72877 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 5.48788 6.69791 5.88354 9.71558 8.76566 10.51 numMergedOcc 0
27 mol 98 unq 3 iso 1 dist 5.48788 9.71558 8.76566 6.69791 5.88354 10.51 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 5.48788 6.69791 5.88354 11.3525 8.8368 13.5683 numMergedOcc 0
29 mol 98 unq 4 iso 1 dist 5.48788 11.3525 8.8368 6.69791 5.88354 13.5683 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 5.48788 6.7822 7.89665 9.86407 5.39354 8.49023 numMergedOcc 0
31 mol 98 unq 1 iso 1 dist 5.48788 9.86407 5.39354 6.7822 7.89665 8.49023 numMergedOcc 0
32 mol 98 unq 2 iso 0 dist 5.48788 6.7822 7.89665 10.9221 5.74854 11.0242 numMergedOcc 0
33 mol 98 unq 2 iso 1 dist 5.48788 10.9221 5.74854 6.7822 7.89665 11.0242 numMergedOcc 0
34 mol 98 unq 3 iso 0 dist 5.48788 6.7822 7.89665 9.71558 8.76566 8.16331 numMergedOcc 0
35 mol 98 unq 3 iso 1 dist 5.48788 9.71558 8.76566 6.7822 7.89665 8.16331 numMergedOcc 0
36 mol 98 unq 4 iso 0 dist 5.48788 6.7822 7.89665 11.3525 8.8368 13.0697 numMergedOcc 0
37 mol 98 unq 4 iso 1 dist 5.48788 11.3525 8.8368 6.7822 7.89665 13.0697 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 5.48788 9.86407 5.39354 10.9221 5.74854 5.09649 numMergedOcc 0
39 mol 98 unq 2 iso 1 dist 5.48788 10.9221 5.74854 9.86407 5.39354 5.09649 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 5.48788 9.86407 5.39354 9.71558 8.76566 7.17023 numMergedOcc 0
41 mol 98 unq 3 iso 1 dist 5.48788 9.71558 8.76566 9.86407 5.39354 7.17023 numMergedOcc 0
42 mol 98 unq 4 iso 0 dist 5.48788 9.86407 5.39354 11.3525 8.8368 8.31884 numMergedOcc 0
43 mol 98 unq 4 iso 1 dist 5.48788 11.3525 8.8368 9.86407 5.39354 8.31884 numMergedOcc 0
44 mol 98 unq 3 iso 0 dist 5.48788 10.9221 5.74854 9.71558 8.76566 11.9511 numMergedOcc 0
45 mol 98 unq 3 iso 1 dist 5.48788 9.71558 8.76566 10.9221 5.74854 11.9511 numMergedOcc 0
46 mol 98 unq 4 iso 0 dist 5.48788 10.9221 5.74854 11.3525 8.8368 11.569 numMergedOcc 0
47 mol 98 unq 4 iso 1 dist 5.48788 11.3525 8.8368 10.9221 5.74854 11.569 numMergedOcc 0
48 mol 98 unq 4 iso 0 dist 5.48788 9.71558 8.76566 11.3525 8.8368 6.66172 numMergedOcc 0
49 mol 98 unq 4 iso 1 dist 5.48788 11.3525 8.8368 9.71558 8.76566 6.66172 numMergedOcc 0
50 mol 112 unq 0 iso 0 dist 9.13886 5.40087 7.23962 9.53485 9.00067 7.03147 numMergedOcc 0
51 mol 112 unq 0 iso 1 dist 9.13886 9.53485 9.00067 5.40087 7.23962 7.03147 numMergedOcc 0
52 mol 112 unq 1 iso 0 dist 9.13886 5.40087 7.23962 13.9695 9.89499 11.4954 numMergedOcc 0
53 mol 112 unq 1 iso 1 dist 9.13886 13.9695 9.89499 5.40087 7.23962 11.4954 numMergedOcc 0
54 mol 112 unq 2 iso 0 dist 9.13886 5.40087 7.23962 11.6264 7.30204 7.05226 numMergedOcc 0
55 mol 112 unq 2 iso 1 dist 9.13886 11.6264 7.30204 5.40087 7.23962 7.05226 numMergedOcc 0
56 mol 112 unq 1 iso 0 dist 9.13886 9.53485 9.00067 13.9695 9.89499 5.54347 numMergedOcc 0
57 mol 112 unq 1 iso 1 dist 9.13886 13.9695 9.89499 9.53485 9.00067 5.54347 numMergedOcc 0
58 mol 112 unq 2 iso 0 dist 9.13886 9.53485 9.00067 11.6264 7.30204 5.56241 numMergedOcc 0
59 mol 112 unq 2 iso 1 dist 9.13886 11.6264 7.30204 9.53485 9.00067 5.56241 numMergedOcc 0
60 mol 112 unq 2 iso 0 dist 9.13886 13.9695 9.89499 11.6264 7.30204 6.77737 numMergedOcc 0
61 mol 112 unq 2 iso 1 dist 9.13886 11.6264 7.30204 13.9695 9.89499 6.77737 numMergedOcc 0
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63 mol 141 unq 0 iso 1 dist 8.92412 6.23566 7.86572 4.37081 6.69515 6.21253 numMergedOcc 0
64 mol 141 unq 1 iso 0 dist 6.97579 10.5394 6.69515 12.1215 7.86572 6.21253 numMergedOcc 0
65 mol 141 unq 1 iso 1 dist 6.97579 12.1215 7.86572 10.5394 6.69515 6.21253 numMergedOcc 0
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67 mol 147 unq 0 iso 1 dist 9.60646 5.83569 6.28351 8.07266 5.49226 7.15222 numMergedOcc 0
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69 mol 195 unq 0 iso 1 dist 9.96728 12.7239 7.62942 7.24106 6.60567 10.7531 numMergedOcc 0
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71 mol 204 unq 0 iso 1 dist 7.44979 11.4774 7.80841 10.4409 8.0144 11.117 numMergedOcc 0
72 mol 204 unq 1 iso 0 dist 9.4236 6.10425 8.0144 7.34669 7.80841 11.117 numMergedOcc 0
73 mol 204 unq 1 iso 1 dist 9.4236 7.34669 7.80841 6.10425 8.0144 11.117 numMergedOcc 0
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81 mol 218 unq 1 iso 1 dist 7.84953 10.1782 9.20961 5.09263 5.76954 5.61978 numMergedOcc 0
82 mol 218 unq 2 iso 0 dist 4.57726 6.66456 8.86175 5.09263 6.29511 4.72474 numMergedOcc 0
83 mol 218 unq 2 iso 1 dist 4.57726 5.09263 6.29511 6.66456 8.86175 4.72474 numMergedOcc 0
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85 mol 234 unq 0 iso 1 dist 8.10427 5.44278 8.24186 4.43593 7.56091 8.59858 numMergedOcc 0
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87 mol 234 unq 1 iso 1 dist 8.10427 9.25445 7.5366 4.43593 7.56091 9.82284 numMergedOcc 0
88 mol 234 unq 1 iso 0 dist 8.10427 5.44278 8.24186 9.25445 7.5366 5.88703 numMergedOcc 0
89 mol 234 unq 1 iso 1 dist 8.10427 9.25445 7.5366 5.44278 8.24186 5.88703 numMergedOcc 0
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91 mol 238 unq 0 iso 1 dist 8.24118 12.8163 6.4398 10.2134 6.66971 5.40359 numMergedOcc 0
92 mol 238 unq 1 iso 0 dist 8.24118 10.2134 6.66971 5.88384 7.32982 10.0191 numMergedOcc 0
93 mol 238 unq 1 iso 1 dist 8.24118 5.88384 7.32982 10.2134 6.66971 10.0191 numMergedOcc 0
94 mol 238 unq 1 iso 0 dist 8.24118 12.8163 6.4398 5.88384 7.32982 10.1648 numMergedOcc 0
95 mol 238 unq 1 iso 1 dist 8.24118 5.88384 7.32982 12.8163 6.4398 10.1648 numMergedOcc 0
96 mol 238 unq 2 iso 0 dist 9.08573 5.37535 5.64181 4.14233 7.61393 6.85126 numMergedOcc 0
97 mol 238 unq 2 iso 1 dist 9.08573 4.14233 7.61393 5.37535 5.64181 6.85126 numMergedOcc 0
98 mol 252 unq 0 iso 0 dist 9.27529 7.66494 6.53679 12.8993 7.50201 6.0987 numMergedOcc 0
99 mol 252 unq 0 iso 1 dist 9.27529 12.8993 7.50201 7.66494 6.53679 6.0987 numMergedOcc 0
100 mol 258 unq 0 iso 0 dist 8.82933 6.62225 6.70815 12.4255 7.99477 7.26417 numMergedOcc 0
101 mol 258 unq 0 iso 1 dist 8.82933 12.4255 7.99477 6.62225 6.70815 7.26417 numMergedOcc 0
102 mol 277 unq 0 iso 0 dist 9.70241 4.627 6.57903 5.01996 9.65707 6.59123 numMergedOcc 0
103 mol 277 unq 0 iso 1 dist 9.70241 5.01996 9.65707 4.627 6.57903 6.59123 numMergedOcc 0
104 mol 279 unq 0 iso 0 dist 8.31175 9.86167 8.29305 9.59818 6.43341 6.67478 numMergedOcc 0
105 mol 279 unq 0 iso 1 dist 8.31175 9.59818 6.43341 9.86167 8.29305 6.67478 numMergedOcc 0
