0 mol 1 unq 0 iso 0 dist 6.35771 9.43252 8.26708 10.7006 6.09918 5.92202 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 6.35771 10.7006 6.09918 9.43252 8.26708 5.92202 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.66645 12.1978 5.72491 4.78012 7.88043 12.2041 numMergedOcc 0
3 mol 7 unq 0 iso 1 dist 6.66645 4.78012 7.88043 12.1978 5.72491 12.2041 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 7.70793 14.4127 6.82379 12.428 6.24978 6.94408 numMergedOcc 0
5 mol 8 unq 0 iso 1 dist 7.70793 12.428 6.24978 14.4127 6.82379 6.94408 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 7.70793 14.4127 6.82379 14.2248 9.66439 11.2508 numMergedOcc 0
7 mol 8 unq 1 iso 1 dist 7.70793 14.2248 9.66439 14.4127 6.82379 11.2508 numMergedOcc 0
8 mol 8 unq 2 iso 0 dist 7.70793 14.4127 6.82379 8.93161 7.3915 12.4076 numMergedOcc 0
9 mol 8 unq 2 iso 1 dist 7.70793 8.93161 7.3915 14.4127 6.82379 12.4076 numMergedOcc 0
10 mol 8 unq 1 iso 0 dist 7.70793 12.428 6.24978 14.2248 9.66439 5.3787 numMergedOcc 0
11 mol 8 unq 1 iso 1 dist 7.70793 14.2248 9.66439 12.428 6.24978 5.3787 numMergedOcc 0
12 mol 8 unq 2 iso 0 dist 7.70793 12.428 6.24978 8.93161 7.3915 9.22548 numMergedOcc 0
13 mol 8 unq 2 iso 1 dist 7.70793 8.93161 7.3915 12.428 6.24978 9.22548 numMergedOcc 0
14 mol 8 unq 2 iso 0 dist 7.70793 14.2248 9.66439 8.93161 7.3915 7.96511 numMergedOcc 0
15 mol 8 unq 2 iso 1 dist 7.70793 8.93161 7.3915 14.2248 9.66439 7.96511 numMergedOcc 0
16 mol 13 unq 0 iso 0 dist 7.56303 7.01217 5.78148 7.16388 6.26071 5.94592 numMergedOcc 0
17 mol 13 unq 0 iso 1 dist 7.56303 7.16388 6.26071 7.01217 5.78148 5.94592 numMergedOcc 0
18 mol 13 unq 1 iso 0 dist 7.56303 7.01217 5.78148 10.9053 8.43325 10.8906 numMergedOcc 0
19 mol 13 unq 1 iso 1 dist 7.56303 10.9053 8.43325 7.01217 5.78148 10.8906 numMergedOcc 0
20 mol 13 unq 1 iso 0 dist 7.56303 7.16388 6.26071 10.9053 8.43325 5.43688 numMergedOcc 0
21 mol 13 unq 1 iso 1 dist 7.56303 10.9053 8.43325 7.16388 6.26071 5.43688 numMergedOcc 0
22 mol 60 unq 0 iso 0 dist 8.04921 14.6942 9.96399 8.71681 7.55695 7.29309 numMergedOcc 0
23 mol 60 unq 0 iso 1 dist 8.04921 8.71681 7.55695 14.6942 9.96399 7.29309 numMergedOcc 0
24 mol 60 unq 1 iso 0 dist 8.04921 14.6942 9.96399 6.05904 8.82176 12.2509 numMergedOcc 0
25 mol 60 unq 1 iso 1 dist 8.04921 6.05904 8.82176 14.6942 9.96399 12.2509 numMergedOcc 0
26 mol 60 unq 1 iso 0 dist 8.04921 8.71681 7.55695 6.05904 8.82176 5.00018 numMergedOcc 0
27 mol 60 unq 1 iso 1 dist 8.04921 6.05904 8.82176 8.71681 7.55695 5.00018 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 7.56041 12.1948 5.88354 13.2435 7.89665 4.50554 numMergedOcc 0
29 mol 98 unq 0 iso 1 dist 7.56041 13.2435 7.89665 12.1948 5.88354 4.50554 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 7.56041 12.1948 5.88354 5.62353 5.39354 7.40461 numMergedOcc 0
31 mol 98 unq 1 iso 1 dist 7.56041 5.62353 5.39354 12.1948 5.88354 7.40461 numMergedOcc 0
32 mol 98 unq 2 iso 0 dist 7.56041 12.1948 5.88354 7.42934 5.74854 7.72877 numMergedOcc 0
33 mol 98 unq 2 iso 1 dist 7.56041 7.42934 5.74854 12.1948 5.88354 7.72877 numMergedOcc 0
34 mol 98 unq 3 iso 0 dist 7.56041 12.1948 5.88354 8.99607 8.76566 10.51 numMergedOcc 0
35 mol 98 unq 3 iso 1 dist 7.56041 8.99607 8.76566 12.1948 5.88354 10.51 numMergedOcc 0
36 mol 98 unq 4 iso 0 dist 7.56041 12.1948 5.88354 5.36136 8.8368 13.5683 numMergedOcc 0
37 mol 98 unq 4 iso 1 dist 7.56041 5.36136 8.8368 12.1948 5.88354 13.5683 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 7.56041 13.2435 7.89665 5.62353 5.39354 8.49023 numMergedOcc 0
39 mol 98 unq 1 iso 1 dist 7.56041 5.62353 5.39354 13.2435 7.89665 8.49023 numMergedOcc 0
40 mol 98 unq 2 iso 0 dist 7.56041 13.2435 7.89665 7.42934 5.74854 11.0242 numMergedOcc 0
41 mol 98 unq 2 iso 1 dist 7.56041 7.42934 5.74854 13.2435 7.89665 11.0242 numMergedOcc 0
42 mol 98 unq 3 iso 0 dist 7.56041 13.2435 7.89665 8.99607 8.76566 8.16331 numMergedOcc 0
43 mol 98 unq 3 iso 1 dist 7.56041 8.99607 8.76566 13.2435 7.89665 8.16331 numMergedOcc 0
44 mol 98 unq 4 iso 0 dist 7.56041 13.2435 7.89665 5.36136 8.8368 13.0697 numMergedOcc 0
45 mol 98 unq 4 iso 1 dist 7.56041 5.36136 8.8368 13.2435 7.89665 13.0697 numMergedOcc 0
46 mol 98 unq 2 iso 0 dist 7.56041 5.62353 5.39354 7.42934 5.74854 5.09649 numMergedOcc 0
47 mol 98 unq 2 iso 1 dist 7.56041 7.42934 5.74854 5.62353 5.39354 5.09649 numMergedOcc 0
48 mol 98 unq 3 iso 0 dist 7.56041 5.62353 5.39354 8.99607 8.76566 7.17023 numMergedOcc 0
49 mol 98 unq 3 iso 1 dist 7.56041 8.99607 8.76566 5.62353 5.39354 7.17023 numMergedOcc 0
50 mol 98 unq 4 iso 0 dist 7.56041 5.62353 5.39354 5.36136 8.8368 8.31884 numMergedOcc 0
51 mol 98 unq 4 iso 1 dist 7.56041 5.36136 8.8368 5.62353 5.39354 8.31884 numMergedOcc 0
52 mol 98 unq 3 iso 0 dist 7.56041 7.42934 5.74854 8.99607 8.76566 11.9511 numMergedOcc 0
53 mol 98 unq 3 iso 1 dist 7.56041 8.99607 8.76566 7.42934 5.74854 11.9511 numMergedOcc 0
54 mol 98 unq 4 iso 0 dist 7.56041 7.42934 5.74854 5.36136 8.8368 11.569 numMergedOcc 0
55 mol 98 unq 4 iso 1 dist 7.56041 5.36136 8.8368 7.42934 5.74854 11.569 numMergedOcc 0
56 mol 98 unq 4 iso 0 dist 7.56041 8.99607 8.76566 5.36136 8.8368 6.66172 numMergedOcc 0
57 mol 98 unq 4 iso 1 dist 7.56041 5.36136 8.8368 8.99607 8.76566 6.66172 numMergedOcc 0
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59 mol 112 unq 0 iso 1 dist 9.67948 13.1737 9.92283 11.4909 6.43433 5.0812 numMergedOcc 0
60 mol 112 unq 1 iso 0 dist 6.55773 10.3209 6.43433 13.9635 9.92283 5.0812 numMergedOcc 0
61 mol 112 unq 1 iso 1 dist 6.55773 13.9635 9.92283 10.3209 6.43433 5.0812 numMergedOcc 0
62 mol 112 unq 2 iso 0 dist 5.82495 5.43987 7.23962 11.3454 9.00067 7.03147 numMergedOcc 0
63 mol 112 unq 2 iso 1 dist 5.82495 11.3454 9.00067 5.43987 7.23962 7.03147 numMergedOcc 0
64 mol 112 unq 3 iso 0 dist 5.82495 5.43987 7.23962 14.3588 9.89499 11.4954 numMergedOcc 0
65 mol 112 unq 3 iso 1 dist 5.82495 14.3588 9.89499 5.43987 7.23962 11.4954 numMergedOcc 0
66 mol 112 unq 4 iso 0 dist 5.82495 5.43987 7.23962 9.7695 7.30204 7.05226 numMergedOcc 0
67 mol 112 unq 4 iso 1 dist 5.82495 9.7695 7.30204 5.43987 7.23962 7.05226 numMergedOcc 0
68 mol 112 unq 3 iso 0 dist 5.82495 11.3454 9.00067 14.3588 9.89499 5.54347 numMergedOcc 0
69 mol 112 unq 3 iso 1 dist 5.82495 14.3588 9.89499 11.3454 9.00067 5.54347 numMergedOcc 0
70 mol 112 unq 4 iso 0 dist 5.82495 11.3454 9.00067 9.7695 7.30204 5.56241 numMergedOcc 0
71 mol 112 unq 4 iso 1 dist 5.82495 9.7695 7.30204 11.3454 9.00067 5.56241 numMergedOcc 0
72 mol 112 unq 4 iso 0 dist 5.82495 14.3588 9.89499 9.7695 7.30204 6.77737 numMergedOcc 0
73 mol 112 unq 4 iso 1 dist 5.82495 9.7695 7.30204 14.3588 9.89499 6.77737 numMergedOcc 0
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80 mol 148 unq 1 iso 0 dist 9.14135 9.14127 9.02318 11.3515 7.97543 7.26616 numMergedOcc 0
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85 mol 150 unq 0 iso 1 dist 9.12067 11.4349 7.85526 14.7649 9.6606 8.77324 numMergedOcc 0
86 mol 150 unq 1 iso 0 dist 9.12067 14.7649 9.6606 9.10666 8.94552 6.98865 numMergedOcc 0
87 mol 150 unq 1 iso 1 dist 9.12067 9.10666 8.94552 14.7649 9.6606 6.98865 numMergedOcc 0
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89 mol 150 unq 1 iso 1 dist 9.12067 9.10666 8.94552 11.4349 7.85526 7.24908 numMergedOcc 0
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91 mol 156 unq 0 iso 1 dist 7.96867 10.0792 6.2319 6.205 9.31851 7.14831 numMergedOcc 0
92 mol 156 unq 1 iso 0 dist 7.96867 6.205 9.31851 13.8503 9.97732 9.98789 numMergedOcc 0
93 mol 156 unq 1 iso 1 dist 7.96867 13.8503 9.97732 6.205 9.31851 9.98789 numMergedOcc 0
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95 mol 156 unq 1 iso 1 dist 7.96867 13.8503 9.97732 10.0792 6.2319 6.31306 numMergedOcc 0
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97 mol 204 unq 0 iso 1 dist 8.28297 13.1366 7.80841 7.37147 8.0144 11.117 numMergedOcc 0
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99 mol 205 unq 0 iso 1 dist 8.01082 9.43922 5.60393 4.87114 8.44861 7.38516 numMergedOcc 0
100 mol 214 unq 0 iso 0 dist 8.45863 11.4345 7.05523 7.3913 8.46327 12.7897 numMergedOcc 0
101 mol 214 unq 0 iso 1 dist 8.45863 7.3913 8.46327 11.4345 7.05523 12.7897 numMergedOcc 0
102 mol 230 unq 0 iso 0 dist 9.03723 11.958 9.09271 6.49467 7.44838 5.53477 numMergedOcc 0
103 mol 230 unq 0 iso 1 dist 9.03723 6.49467 7.44838 11.958 9.09271 5.53477 numMergedOcc 0
104 mol 261 unq 0 iso 0 dist 9.39571 6.42225 5.26434 11.0363 8.60026 7.00201 numMergedOcc 0
105 mol 261 unq 0 iso 1 dist 9.39571 11.0363 8.60026 6.42225 5.26434 7.00201 numMergedOcc 0
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107 mol 276 unq 0 iso 1 dist 8.96556 14.0743 7.25423 11.6308 6.70215 5.41205 numMergedOcc 0
108 mol 276 unq 1 iso 0 dist 8.96556 11.6308 6.70215 15.638 7.88706 10.6102 numMergedOcc 0
109 mol 276 unq 1 iso 1 dist 8.96556 15.638 7.88706 11.6308 6.70215 10.6102 numMergedOcc 0
110 mol 276 unq 2 iso 0 dist 8.96556 11.6308 6.70215 4.73253 7.23916 8.62129 numMergedOcc 0
111 mol 276 unq 2 iso 1 dist 8.96556 4.73253 7.23916 11.6308 6.70215 8.62129 numMergedOcc 0
112 mol 276 unq 1 iso 0 dist 8.96556 14.0743 7.25423 15.638 7.88706 6.19843 numMergedOcc 0
113 mol 276 unq 1 iso 1 dist 8.96556 15.638 7.88706 14.0743 7.25423 6.19843 numMergedOcc 0
114 mol 276 unq 2 iso 0 dist 8.96556 14.0743 7.25423 4.73253 7.23916 10.1636 numMergedOcc 0
115 mol 276 unq 2 iso 1 dist 8.96556 4.73253 7.23916 14.0743 7.25423 10.1636 numMergedOcc 0
116 mol 276 unq 2 iso 0 dist 8.96556 15.638 7.88706 4.73253 7.23916 12.4616 numMergedOcc 0
117 mol 276 unq 2 iso 1 dist 8.96556 4.73253 7.23916 15.638 7.88706 12.4616 numMergedOcc 0
118 mol 278 unq 0 iso 0 dist 6.06813 9.61803 7.67245 7.87608 9.12395 5.74345 numMergedOcc 0
119 mol 278 unq 0 iso 1 dist 6.06813 7.87608 9.12395 9.61803 7.67245 5.74345 numMergedOcc 0
