0 mol 8 unq 0 iso 0 dist 6.82379 6.94408 6.24978 11.2508 9.66439 5.3787 4.94497 8.77457 5.61772 10.4848 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 6.82379 11.2508 9.66439 6.94408 6.24978 5.3787 4.94497 8.77457 10.4848 5.61772 numMergedOcc 0
2 mol 8 unq 0 iso 2 dist 6.24978 6.94408 6.82379 5.3787 9.66439 11.2508 5.61772 8.77457 4.94497 10.4848 numMergedOcc 0
3 mol 8 unq 0 iso 3 dist 6.24978 5.3787 9.66439 6.94408 6.82379 11.2508 5.61772 8.77457 10.4848 4.94497 numMergedOcc 0
4 mol 8 unq 0 iso 4 dist 9.66439 11.2508 6.82379 5.3787 6.24978 6.94408 10.4848 8.77457 4.94497 5.61772 numMergedOcc 0
5 mol 8 unq 0 iso 5 dist 9.66439 5.3787 6.24978 11.2508 6.82379 6.94408 10.4848 8.77457 5.61772 4.94497 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 6.82379 6.94408 6.24978 12.4076 7.3915 9.22548 4.94497 8.77457 5.61772 14.1378 numMergedOcc 0
7 mol 8 unq 1 iso 1 dist 6.82379 12.4076 7.3915 6.94408 6.24978 9.22548 4.94497 8.77457 14.1378 5.61772 numMergedOcc 0
8 mol 8 unq 1 iso 2 dist 6.24978 6.94408 6.82379 9.22548 7.3915 12.4076 5.61772 8.77457 4.94497 14.1378 numMergedOcc 0
9 mol 8 unq 1 iso 3 dist 6.24978 9.22548 7.3915 6.94408 6.82379 12.4076 5.61772 8.77457 14.1378 4.94497 numMergedOcc 0
10 mol 8 unq 1 iso 4 dist 7.3915 12.4076 6.82379 9.22548 6.24978 6.94408 14.1378 8.77457 4.94497 5.61772 numMergedOcc 0
11 mol 8 unq 1 iso 5 dist 7.3915 9.22548 6.24978 12.4076 6.82379 6.94408 14.1378 8.77457 5.61772 4.94497 numMergedOcc 0
12 mol 8 unq 1 iso 0 dist 6.82379 11.2508 9.66439 12.4076 7.3915 7.96511 4.94497 8.77457 10.4848 14.1378 numMergedOcc 0
13 mol 8 unq 1 iso 1 dist 6.82379 12.4076 7.3915 11.2508 9.66439 7.96511 4.94497 8.77457 14.1378 10.4848 numMergedOcc 0
14 mol 8 unq 1 iso 2 dist 9.66439 11.2508 6.82379 7.96511 7.3915 12.4076 10.4848 8.77457 4.94497 14.1378 numMergedOcc 0
15 mol 8 unq 1 iso 3 dist 9.66439 7.96511 7.3915 11.2508 6.82379 12.4076 10.4848 8.77457 14.1378 4.94497 numMergedOcc 0
16 mol 8 unq 1 iso 4 dist 7.3915 12.4076 6.82379 7.96511 9.66439 11.2508 14.1378 8.77457 4.94497 10.4848 numMergedOcc 0
17 mol 8 unq 1 iso 5 dist 7.3915 7.96511 9.66439 12.4076 6.82379 11.2508 14.1378 8.77457 10.4848 4.94497 numMergedOcc 0
18 mol 8 unq 1 iso 0 dist 6.24978 5.3787 9.66439 9.22548 7.3915 7.96511 5.61772 8.77457 10.4848 14.1378 numMergedOcc 0
19 mol 8 unq 1 iso 1 dist 6.24978 9.22548 7.3915 5.3787 9.66439 7.96511 5.61772 8.77457 14.1378 10.4848 numMergedOcc 0
20 mol 8 unq 1 iso 2 dist 9.66439 5.3787 6.24978 7.96511 7.3915 9.22548 10.4848 8.77457 5.61772 14.1378 numMergedOcc 0
21 mol 8 unq 1 iso 3 dist 9.66439 7.96511 7.3915 5.3787 6.24978 9.22548 10.4848 8.77457 14.1378 5.61772 numMergedOcc 0
22 mol 8 unq 1 iso 4 dist 7.3915 9.22548 6.24978 7.96511 9.66439 5.3787 14.1378 8.77457 5.61772 10.4848 numMergedOcc 0
23 mol 8 unq 1 iso 5 dist 7.3915 7.96511 9.66439 9.22548 6.24978 5.3787 14.1378 8.77457 10.4848 5.61772 numMergedOcc 0
24 mol 13 unq 0 iso 0 dist 5.78148 5.94592 6.26071 10.8906 8.43325 5.43688 4.56335 7.98679 8.87621 12.9999 numMergedOcc 0
25 mol 13 unq 0 iso 1 dist 5.78148 10.8906 8.43325 5.94592 6.26071 5.43688 4.56335 7.98679 12.9999 8.87621 numMergedOcc 0
26 mol 13 unq 0 iso 2 dist 6.26071 5.94592 5.78148 5.43688 8.43325 10.8906 8.87621 7.98679 4.56335 12.9999 numMergedOcc 0
27 mol 13 unq 0 iso 3 dist 6.26071 5.43688 8.43325 5.94592 5.78148 10.8906 8.87621 7.98679 12.9999 4.56335 numMergedOcc 0
28 mol 13 unq 0 iso 4 dist 8.43325 10.8906 5.78148 5.43688 6.26071 5.94592 12.9999 7.98679 4.56335 8.87621 numMergedOcc 0
29 mol 13 unq 0 iso 5 dist 8.43325 5.43688 6.26071 10.8906 5.78148 5.94592 12.9999 7.98679 8.87621 4.56335 numMergedOcc 0
30 mol 19 unq 0 iso 0 dist 7.48847 10.8007 6.92532 10.6598 6.36455 5.03957 6.42867 6.39966 4.97119 6.01808 numMergedOcc 0
31 mol 19 unq 0 iso 1 dist 7.48847 10.6598 6.36455 10.8007 6.92532 5.03957 6.42867 6.39966 6.01808 4.97119 numMergedOcc 0
32 mol 19 unq 0 iso 2 dist 6.92532 10.8007 7.48847 5.03957 6.36455 10.6598 4.97119 6.39966 6.42867 6.01808 numMergedOcc 0
33 mol 19 unq 0 iso 3 dist 6.92532 5.03957 6.36455 10.8007 7.48847 10.6598 4.97119 6.39966 6.01808 6.42867 numMergedOcc 0
34 mol 19 unq 0 iso 4 dist 6.36455 10.6598 7.48847 5.03957 6.92532 10.8007 6.01808 6.39966 6.42867 4.97119 numMergedOcc 0
35 mol 19 unq 0 iso 5 dist 6.36455 5.03957 6.92532 10.6598 7.48847 10.8007 6.01808 6.39966 4.97119 6.42867 numMergedOcc 0
36 mol 60 unq 0 iso 0 dist 9.96399 7.29309 7.55695 12.2509 8.82176 5.00018 11.2415 4.65127 5.94827 5.32257 numMergedOcc 0
37 mol 60 unq 0 iso 1 dist 9.96399 12.2509 8.82176 7.29309 7.55695 5.00018 11.2415 4.65127 5.32257 5.94827 numMergedOcc 0
38 mol 60 unq 0 iso 2 dist 7.55695 7.29309 9.96399 5.00018 8.82176 12.2509 5.94827 4.65127 11.2415 5.32257 numMergedOcc 0
39 mol 60 unq 0 iso 3 dist 7.55695 5.00018 8.82176 7.29309 9.96399 12.2509 5.94827 4.65127 5.32257 11.2415 numMergedOcc 0
40 mol 60 unq 0 iso 4 dist 8.82176 12.2509 9.96399 5.00018 7.55695 7.29309 5.32257 4.65127 11.2415 5.94827 numMergedOcc 0
41 mol 60 unq 0 iso 5 dist 8.82176 5.00018 7.55695 12.2509 9.96399 7.29309 5.32257 4.65127 5.94827 11.2415 numMergedOcc 0
42 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 9.91939 9.4523 7.66728 4.4022 7.62611 8.96224 10.3849 numMergedOcc 0
43 mol 93 unq 0 iso 1 dist 9.81831 9.91939 9.4523 6.30447 9.12858 7.66728 4.4022 7.62611 10.3849 8.96224 numMergedOcc 0
44 mol 93 unq 0 iso 2 dist 9.12858 6.30447 9.81831 7.66728 9.4523 9.91939 8.96224 7.62611 4.4022 10.3849 numMergedOcc 0
45 mol 93 unq 0 iso 3 dist 9.12858 7.66728 9.4523 6.30447 9.81831 9.91939 8.96224 7.62611 10.3849 4.4022 numMergedOcc 0
46 mol 93 unq 0 iso 4 dist 9.4523 9.91939 9.81831 7.66728 9.12858 6.30447 10.3849 7.62611 4.4022 8.96224 numMergedOcc 0
47 mol 93 unq 0 iso 5 dist 9.4523 7.66728 9.12858 9.91939 9.81831 6.30447 10.3849 7.62611 8.96224 4.4022 numMergedOcc 0
48 mol 98 unq 0 iso 0 dist 5.88354 4.50554 7.89665 7.40461 5.39354 8.49023 4.67519 6.62972 6.6076 10.6513 numMergedOcc 0
49 mol 98 unq 0 iso 1 dist 5.88354 7.40461 5.39354 4.50554 7.89665 8.49023 4.67519 6.62972 10.6513 6.6076 numMergedOcc 0
50 mol 98 unq 0 iso 2 dist 7.89665 4.50554 5.88354 8.49023 5.39354 7.40461 6.6076 6.62972 4.67519 10.6513 numMergedOcc 0
51 mol 98 unq 0 iso 3 dist 7.89665 8.49023 5.39354 4.50554 5.88354 7.40461 6.6076 6.62972 10.6513 4.67519 numMergedOcc 0
52 mol 98 unq 0 iso 4 dist 5.39354 7.40461 5.88354 8.49023 7.89665 4.50554 10.6513 6.62972 4.67519 6.6076 numMergedOcc 0
53 mol 98 unq 0 iso 5 dist 5.39354 8.49023 7.89665 7.40461 5.88354 4.50554 10.6513 6.62972 6.6076 4.67519 numMergedOcc 0
54 mol 98 unq 1 iso 0 dist 5.88354 4.50554 7.89665 7.72877 5.74854 11.0242 4.67519 6.62972 6.6076 10.4027 numMergedOcc 0
55 mol 98 unq 1 iso 1 dist 5.88354 7.72877 5.74854 4.50554 7.89665 11.0242 4.67519 6.62972 10.4027 6.6076 numMergedOcc 0
56 mol 98 unq 1 iso 2 dist 7.89665 4.50554 5.88354 11.0242 5.74854 7.72877 6.6076 6.62972 4.67519 10.4027 numMergedOcc 0
57 mol 98 unq 1 iso 3 dist 7.89665 11.0242 5.74854 4.50554 5.88354 7.72877 6.6076 6.62972 10.4027 4.67519 numMergedOcc 0
58 mol 98 unq 1 iso 4 dist 5.74854 7.72877 5.88354 11.0242 7.89665 4.50554 10.4027 6.62972 4.67519 6.6076 numMergedOcc 0
59 mol 98 unq 1 iso 5 dist 5.74854 11.0242 7.89665 7.72877 5.88354 4.50554 10.4027 6.62972 6.6076 4.67519 numMergedOcc 0
60 mol 98 unq 2 iso 0 dist 5.88354 4.50554 7.89665 10.51 8.76566 8.16331 4.67519 6.62972 6.6076 12.3568 numMergedOcc 0
61 mol 98 unq 2 iso 1 dist 5.88354 10.51 8.76566 4.50554 7.89665 8.16331 4.67519 6.62972 12.3568 6.6076 numMergedOcc 0
62 mol 98 unq 2 iso 2 dist 7.89665 4.50554 5.88354 8.16331 8.76566 10.51 6.6076 6.62972 4.67519 12.3568 numMergedOcc 0
63 mol 98 unq 2 iso 3 dist 7.89665 8.16331 8.76566 4.50554 5.88354 10.51 6.6076 6.62972 12.3568 4.67519 numMergedOcc 0
64 mol 98 unq 2 iso 4 dist 8.76566 10.51 5.88354 8.16331 7.89665 4.50554 12.3568 6.62972 4.67519 6.6076 numMergedOcc 0
65 mol 98 unq 2 iso 5 dist 8.76566 8.16331 7.89665 10.51 5.88354 4.50554 12.3568 6.62972 6.6076 4.67519 numMergedOcc 0
66 mol 98 unq 3 iso 0 dist 5.88354 4.50554 7.89665 13.5683 8.8368 13.0697 4.67519 6.62972 6.6076 14.5457 numMergedOcc 0
67 mol 98 unq 3 iso 1 dist 5.88354 13.5683 8.8368 4.50554 7.89665 13.0697 4.67519 6.62972 14.5457 6.6076 numMergedOcc 0
68 mol 98 unq 3 iso 2 dist 7.89665 4.50554 5.88354 13.0697 8.8368 13.5683 6.6076 6.62972 4.67519 14.5457 numMergedOcc 0
69 mol 98 unq 3 iso 3 dist 7.89665 13.0697 8.8368 4.50554 5.88354 13.5683 6.6076 6.62972 14.5457 4.67519 numMergedOcc 0
70 mol 98 unq 3 iso 4 dist 8.8368 13.5683 5.88354 13.0697 7.89665 4.50554 14.5457 6.62972 4.67519 6.6076 numMergedOcc 0
71 mol 98 unq 3 iso 5 dist 8.8368 13.0697 7.89665 13.5683 5.88354 4.50554 14.5457 6.62972 6.6076 4.67519 numMergedOcc 0
72 mol 98 unq 1 iso 0 dist 5.88354 7.40461 5.39354 7.72877 5.74854 5.09649 4.67519 6.62972 10.6513 10.4027 numMergedOcc 0
73 mol 98 unq 1 iso 1 dist 5.88354 7.72877 5.74854 7.40461 5.39354 5.09649 4.67519 6.62972 10.4027 10.6513 numMergedOcc 0
74 mol 98 unq 1 iso 2 dist 5.39354 7.40461 5.88354 5.09649 5.74854 7.72877 10.6513 6.62972 4.67519 10.4027 numMergedOcc 0
75 mol 98 unq 1 iso 3 dist 5.39354 5.09649 5.74854 7.40461 5.88354 7.72877 10.6513 6.62972 10.4027 4.67519 numMergedOcc 0
76 mol 98 unq 1 iso 4 dist 5.74854 7.72877 5.88354 5.09649 5.39354 7.40461 10.4027 6.62972 4.67519 10.6513 numMergedOcc 0
77 mol 98 unq 1 iso 5 dist 5.74854 5.09649 5.39354 7.72877 5.88354 7.40461 10.4027 6.62972 10.6513 4.67519 numMergedOcc 0
78 mol 98 unq 2 iso 0 dist 5.88354 7.40461 5.39354 10.51 8.76566 7.17023 4.67519 6.62972 10.6513 12.3568 numMergedOcc 0
79 mol 98 unq 2 iso 1 dist 5.88354 10.51 8.76566 7.40461 5.39354 7.17023 4.67519 6.62972 12.3568 10.6513 numMergedOcc 0
80 mol 98 unq 2 iso 2 dist 5.39354 7.40461 5.88354 7.17023 8.76566 10.51 10.6513 6.62972 4.67519 12.3568 numMergedOcc 0
81 mol 98 unq 2 iso 3 dist 5.39354 7.17023 8.76566 7.40461 5.88354 10.51 10.6513 6.62972 12.3568 4.67519 numMergedOcc 0
82 mol 98 unq 2 iso 4 dist 8.76566 10.51 5.88354 7.17023 5.39354 7.40461 12.3568 6.62972 4.67519 10.6513 numMergedOcc 0
83 mol 98 unq 2 iso 5 dist 8.76566 7.17023 5.39354 10.51 5.88354 7.40461 12.3568 6.62972 10.6513 4.67519 numMergedOcc 0
84 mol 98 unq 3 iso 0 dist 5.88354 7.40461 5.39354 13.5683 8.8368 8.31884 4.67519 6.62972 10.6513 14.5457 numMergedOcc 0
85 mol 98 unq 3 iso 1 dist 5.88354 13.5683 8.8368 7.40461 5.39354 8.31884 4.67519 6.62972 14.5457 10.6513 numMergedOcc 0
86 mol 98 unq 3 iso 2 dist 5.39354 7.40461 5.88354 8.31884 8.8368 13.5683 10.6513 6.62972 4.67519 14.5457 numMergedOcc 0
87 mol 98 unq 3 iso 3 dist 5.39354 8.31884 8.8368 7.40461 5.88354 13.5683 10.6513 6.62972 14.5457 4.67519 numMergedOcc 0
88 mol 98 unq 3 iso 4 dist 8.8368 13.5683 5.88354 8.31884 5.39354 7.40461 14.5457 6.62972 4.67519 10.6513 numMergedOcc 0
89 mol 98 unq 3 iso 5 dist 8.8368 8.31884 5.39354 13.5683 5.88354 7.40461 14.5457 6.62972 10.6513 4.67519 numMergedOcc 0
90 mol 98 unq 2 iso 0 dist 5.88354 7.72877 5.74854 10.51 8.76566 11.9511 4.67519 6.62972 10.4027 12.3568 numMergedOcc 0
91 mol 98 unq 2 iso 1 dist 5.88354 10.51 8.76566 7.72877 5.74854 11.9511 4.67519 6.62972 12.3568 10.4027 numMergedOcc 0
92 mol 98 unq 2 iso 2 dist 5.74854 7.72877 5.88354 11.9511 8.76566 10.51 10.4027 6.62972 4.67519 12.3568 numMergedOcc 0
93 mol 98 unq 2 iso 3 dist 5.74854 11.9511 8.76566 7.72877 5.88354 10.51 10.4027 6.62972 12.3568 4.67519 numMergedOcc 0
94 mol 98 unq 2 iso 4 dist 8.76566 10.51 5.88354 11.9511 5.74854 7.72877 12.3568 6.62972 4.67519 10.4027 numMergedOcc 0
95 mol 98 unq 2 iso 5 dist 8.76566 11.9511 5.74854 10.51 5.88354 7.72877 12.3568 6.62972 10.4027 4.67519 numMergedOcc 0
96 mol 98 unq 3 iso 0 dist 5.88354 7.72877 5.74854 13.5683 8.8368 11.569 4.67519 6.62972 10.4027 14.5457 numMergedOcc 0
97 mol 98 unq 3 iso 1 dist 5.88354 13.5683 8.8368 7.72877 5.74854 11.569 4.67519 6.62972 14.5457 10.4027 numMergedOcc 0
98 mol 98 unq 3 iso 2 dist 5.74854 7.72877 5.88354 11.569 8.8368 13.5683 10.4027 6.62972 4.67519 14.5457 numMergedOcc 0
99 mol 98 unq 3 iso 3 dist 5.74854 11.569 8.8368 7.72877 5.88354 13.5683 10.4027 6.62972 14.5457 4.67519 numMergedOcc 0
100 mol 98 unq 3 iso 4 dist 8.8368 13.5683 5.88354 11.569 5.74854 7.72877 14.5457 6.62972 4.67519 10.4027 numMergedOcc 0
101 mol 98 unq 3 iso 5 dist 8.8368 11.569 5.74854 13.5683 5.88354 7.72877 14.5457 6.62972 10.4027 4.67519 numMergedOcc 0
102 mol 98 unq 3 iso 0 dist 5.88354 10.51 8.76566 13.5683 8.8368 6.66172 4.67519 6.62972 12.3568 14.5457 numMergedOcc 0
103 mol 98 unq 3 iso 1 dist 5.88354 13.5683 8.8368 10.51 8.76566 6.66172 4.67519 6.62972 14.5457 12.3568 numMergedOcc 0
104 mol 98 unq 3 iso 2 dist 8.76566 10.51 5.88354 6.66172 8.8368 13.5683 12.3568 6.62972 4.67519 14.5457 numMergedOcc 0
105 mol 98 unq 3 iso 3 dist 8.76566 6.66172 8.8368 10.51 5.88354 13.5683 12.3568 6.62972 14.5457 4.67519 numMergedOcc 0
106 mol 98 unq 3 iso 4 dist 8.8368 13.5683 5.88354 6.66172 8.76566 10.51 14.5457 6.62972 4.67519 12.3568 numMergedOcc 0
107 mol 98 unq 3 iso 5 dist 8.8368 6.66172 8.76566 13.5683 5.88354 10.51 14.5457 6.62972 12.3568 4.67519 numMergedOcc 0
108 mol 98 unq 1 iso 0 dist 7.89665 8.49023 5.39354 11.0242 5.74854 5.09649 6.6076 6.62972 10.6513 10.4027 numMergedOcc 0
109 mol 98 unq 1 iso 1 dist 7.89665 11.0242 5.74854 8.49023 5.39354 5.09649 6.6076 6.62972 10.4027 10.6513 numMergedOcc 0
110 mol 98 unq 1 iso 2 dist 5.39354 8.49023 7.89665 5.09649 5.74854 11.0242 10.6513 6.62972 6.6076 10.4027 numMergedOcc 0
111 mol 98 unq 1 iso 3 dist 5.39354 5.09649 5.74854 8.49023 7.89665 11.0242 10.6513 6.62972 10.4027 6.6076 numMergedOcc 0
112 mol 98 unq 1 iso 4 dist 5.74854 11.0242 7.89665 5.09649 5.39354 8.49023 10.4027 6.62972 6.6076 10.6513 numMergedOcc 0
113 mol 98 unq 1 iso 5 dist 5.74854 5.09649 5.39354 11.0242 7.89665 8.49023 10.4027 6.62972 10.6513 6.6076 numMergedOcc 0
114 mol 98 unq 2 iso 0 dist 7.89665 8.49023 5.39354 8.16331 8.76566 7.17023 6.6076 6.62972 10.6513 12.3568 numMergedOcc 0
115 mol 98 unq 2 iso 1 dist 7.89665 8.16331 8.76566 8.49023 5.39354 7.17023 6.6076 6.62972 12.3568 10.6513 numMergedOcc 0
116 mol 98 unq 2 iso 2 dist 5.39354 8.49023 7.89665 7.17023 8.76566 8.16331 10.6513 6.62972 6.6076 12.3568 numMergedOcc 0
117 mol 98 unq 2 iso 3 dist 5.39354 7.17023 8.76566 8.49023 7.89665 8.16331 10.6513 6.62972 12.3568 6.6076 numMergedOcc 0
118 mol 98 unq 2 iso 4 dist 8.76566 8.16331 7.89665 7.17023 5.39354 8.49023 12.3568 6.62972 6.6076 10.6513 numMergedOcc 0
119 mol 98 unq 2 iso 5 dist 8.76566 7.17023 5.39354 8.16331 7.89665 8.49023 12.3568 6.62972 10.6513 6.6076 numMergedOcc 0
120 mol 98 unq 3 iso 0 dist 7.89665 8.49023 5.39354 13.0697 8.8368 8.31884 6.6076 6.62972 10.6513 14.5457 numMergedOcc 0
121 mol 98 unq 3 iso 1 dist 7.89665 13.0697 8.8368 8.49023 5.39354 8.31884 6.6076 6.62972 14.5457 10.6513 numMergedOcc 0
122 mol 98 unq 3 iso 2 dist 5.39354 8.49023 7.89665 8.31884 8.8368 13.0697 10.6513 6.62972 6.6076 14.5457 numMergedOcc 0
123 mol 98 unq 3 iso 3 dist 5.39354 8.31884 8.8368 8.49023 7.89665 13.0697 10.6513 6.62972 14.5457 6.6076 numMergedOcc 0
124 mol 98 unq 3 iso 4 dist 8.8368 13.0697 7.89665 8.31884 5.39354 8.49023 14.5457 6.62972 6.6076 10.6513 numMergedOcc 0
125 mol 98 unq 3 iso 5 dist 8.8368 8.31884 5.39354 13.0697 7.89665 8.49023 14.5457 6.62972 10.6513 6.6076 numMergedOcc 0
126 mol 98 unq 2 iso 0 dist 7.89665 11.0242 5.74854 8.16331 8.76566 11.9511 6.6076 6.62972 10.4027 12.3568 numMergedOcc 0
127 mol 98 unq 2 iso 1 dist 7.89665 8.16331 8.76566 11.0242 5.74854 11.9511 6.6076 6.62972 12.3568 10.4027 numMergedOcc 0
128 mol 98 unq 2 iso 2 dist 5.74854 11.0242 7.89665 11.9511 8.76566 8.16331 10.4027 6.62972 6.6076 12.3568 numMergedOcc 0
129 mol 98 unq 2 iso 3 dist 5.74854 11.9511 8.76566 11.0242 7.89665 8.16331 10.4027 6.62972 12.3568 6.6076 numMergedOcc 0
130 mol 98 unq 2 iso 4 dist 8.76566 8.16331 7.89665 11.9511 5.74854 11.0242 12.3568 6.62972 6.6076 10.4027 numMergedOcc 0
131 mol 98 unq 2 iso 5 dist 8.76566 11.9511 5.74854 8.16331 7.89665 11.0242 12.3568 6.62972 10.4027 6.6076 numMergedOcc 0
132 mol 98 unq 3 iso 0 dist 7.89665 11.0242 5.74854 13.0697 8.8368 11.569 6.6076 6.62972 10.4027 14.5457 numMergedOcc 0
133 mol 98 unq 3 iso 1 dist 7.89665 13.0697 8.8368 11.0242 5.74854 11.569 6.6076 6.62972 14.5457 10.4027 numMergedOcc 0
134 mol 98 unq 3 iso 2 dist 5.74854 11.0242 7.89665 11.569 8.8368 13.0697 10.4027 6.62972 6.6076 14.5457 numMergedOcc 0
135 mol 98 unq 3 iso 3 dist 5.74854 11.569 8.8368 11.0242 7.89665 13.0697 10.4027 6.62972 14.5457 6.6076 numMergedOcc 0
136 mol 98 unq 3 iso 4 dist 8.8368 13.0697 7.89665 11.569 5.74854 11.0242 14.5457 6.62972 6.6076 10.4027 numMergedOcc 0
137 mol 98 unq 3 iso 5 dist 8.8368 11.569 5.74854 13.0697 7.89665 11.0242 14.5457 6.62972 10.4027 6.6076 numMergedOcc 0
138 mol 98 unq 3 iso 0 dist 7.89665 8.16331 8.76566 13.0697 8.8368 6.66172 6.6076 6.62972 12.3568 14.5457 numMergedOcc 0
139 mol 98 unq 3 iso 1 dist 7.89665 13.0697 8.8368 8.16331 8.76566 6.66172 6.6076 6.62972 14.5457 12.3568 numMergedOcc 0
140 mol 98 unq 3 iso 2 dist 8.76566 8.16331 7.89665 6.66172 8.8368 13.0697 12.3568 6.62972 6.6076 14.5457 numMergedOcc 0
141 mol 98 unq 3 iso 3 dist 8.76566 6.66172 8.8368 8.16331 7.89665 13.0697 12.3568 6.62972 14.5457 6.6076 numMergedOcc 0
142 mol 98 unq 3 iso 4 dist 8.8368 13.0697 7.89665 6.66172 8.76566 8.16331 14.5457 6.62972 6.6076 12.3568 numMergedOcc 0
143 mol 98 unq 3 iso 5 dist 8.8368 6.66172 8.76566 13.0697 7.89665 8.16331 14.5457 6.62972 12.3568 6.6076 numMergedOcc 0
144 mol 98 unq 2 iso 0 dist 5.39354 5.09649 5.74854 7.17023 8.76566 11.9511 10.6513 6.62972 10.4027 12.3568 numMergedOcc 0
145 mol 98 unq 2 iso 1 dist 5.39354 7.17023 8.76566 5.09649 5.74854 11.9511 10.6513 6.62972 12.3568 10.4027 numMergedOcc 0
146 mol 98 unq 2 iso 2 dist 5.74854 5.09649 5.39354 11.9511 8.76566 7.17023 10.4027 6.62972 10.6513 12.3568 numMergedOcc 0
147 mol 98 unq 2 iso 3 dist 5.74854 11.9511 8.76566 5.09649 5.39354 7.17023 10.4027 6.62972 12.3568 10.6513 numMergedOcc 0
148 mol 98 unq 2 iso 4 dist 8.76566 7.17023 5.39354 11.9511 5.74854 5.09649 12.3568 6.62972 10.6513 10.4027 numMergedOcc 0
149 mol 98 unq 2 iso 5 dist 8.76566 11.9511 5.74854 7.17023 5.39354 5.09649 12.3568 6.62972 10.4027 10.6513 numMergedOcc 0
150 mol 98 unq 3 iso 0 dist 5.39354 5.09649 5.74854 8.31884 8.8368 11.569 10.6513 6.62972 10.4027 14.5457 numMergedOcc 0
151 mol 98 unq 3 iso 1 dist 5.39354 8.31884 8.8368 5.09649 5.74854 11.569 10.6513 6.62972 14.5457 10.4027 numMergedOcc 0
152 mol 98 unq 3 iso 2 dist 5.74854 5.09649 5.39354 11.569 8.8368 8.31884 10.4027 6.62972 10.6513 14.5457 numMergedOcc 0
153 mol 98 unq 3 iso 3 dist 5.74854 11.569 8.8368 5.09649 5.39354 8.31884 10.4027 6.62972 14.5457 10.6513 numMergedOcc 0
154 mol 98 unq 3 iso 4 dist 8.8368 8.31884 5.39354 11.569 5.74854 5.09649 14.5457 6.62972 10.6513 10.4027 numMergedOcc 0
155 mol 98 unq 3 iso 5 dist 8.8368 11.569 5.74854 8.31884 5.39354 5.09649 14.5457 6.62972 10.4027 10.6513 numMergedOcc 0
156 mol 98 unq 3 iso 0 dist 5.39354 7.17023 8.76566 8.31884 8.8368 6.66172 10.6513 6.62972 12.3568 14.5457 numMergedOcc 0
157 mol 98 unq 3 iso 1 dist 5.39354 8.31884 8.8368 7.17023 8.76566 6.66172 10.6513 6.62972 14.5457 12.3568 numMergedOcc 0
158 mol 98 unq 3 iso 2 dist 8.76566 7.17023 5.39354 6.66172 8.8368 8.31884 12.3568 6.62972 10.6513 14.5457 numMergedOcc 0
159 mol 98 unq 3 iso 3 dist 8.76566 6.66172 8.8368 7.17023 5.39354 8.31884 12.3568 6.62972 14.5457 10.6513 numMergedOcc 0
160 mol 98 unq 3 iso 4 dist 8.8368 8.31884 5.39354 6.66172 8.76566 7.17023 14.5457 6.62972 10.6513 12.3568 numMergedOcc 0
161 mol 98 unq 3 iso 5 dist 8.8368 6.66172 8.76566 8.31884 5.39354 7.17023 14.5457 6.62972 12.3568 10.6513 numMergedOcc 0
162 mol 98 unq 3 iso 0 dist 5.74854 11.9511 8.76566 11.569 8.8368 6.66172 10.4027 6.62972 12.3568 14.5457 numMergedOcc 0
163 mol 98 unq 3 iso 1 dist 5.74854 11.569 8.8368 11.9511 8.76566 6.66172 10.4027 6.62972 14.5457 12.3568 numMergedOcc 0
164 mol 98 unq 3 iso 2 dist 8.76566 11.9511 5.74854 6.66172 8.8368 11.569 12.3568 6.62972 10.4027 14.5457 numMergedOcc 0
165 mol 98 unq 3 iso 3 dist 8.76566 6.66172 8.8368 11.9511 5.74854 11.569 12.3568 6.62972 14.5457 10.4027 numMergedOcc 0
166 mol 98 unq 3 iso 4 dist 8.8368 11.569 5.74854 6.66172 8.76566 11.9511 14.5457 6.62972 10.4027 12.3568 numMergedOcc 0
167 mol 98 unq 3 iso 5 dist 8.8368 6.66172 8.76566 11.569 5.74854 11.9511 14.5457 6.62972 12.3568 10.4027 numMergedOcc 0
168 mol 131 unq 0 iso 0 dist 9.15431 7.58238 6.92648 13.2572 9.29384 6.63273 6.51918 5.44303 7.92788 13.1439 numMergedOcc 0
169 mol 131 unq 0 iso 1 dist 9.15431 13.2572 9.29384 7.58238 6.92648 6.63273 6.51918 5.44303 13.1439 7.92788 numMergedOcc 0
170 mol 131 unq 0 iso 2 dist 6.92648 7.58238 9.15431 6.63273 9.29384 13.2572 7.92788 5.44303 6.51918 13.1439 numMergedOcc 0
171 mol 131 unq 0 iso 3 dist 6.92648 6.63273 9.29384 7.58238 9.15431 13.2572 7.92788 5.44303 13.1439 6.51918 numMergedOcc 0
172 mol 131 unq 0 iso 4 dist 9.29384 13.2572 9.15431 6.63273 6.92648 7.58238 13.1439 5.44303 6.51918 7.92788 numMergedOcc 0
173 mol 131 unq 0 iso 5 dist 9.29384 6.63273 6.92648 13.2572 9.15431 7.58238 13.1439 5.44303 7.92788 6.51918 numMergedOcc 0
174 mol 131 unq 1 iso 0 dist 9.15431 7.58238 6.92648 13.2572 9.29384 6.63273 9.60968 8.50562 8.23791 13.7237 numMergedOcc 0
175 mol 131 unq 1 iso 1 dist 9.15431 13.2572 9.29384 7.58238 6.92648 6.63273 9.60968 8.50562 13.7237 8.23791 numMergedOcc 0
176 mol 131 unq 1 iso 2 dist 6.92648 7.58238 9.15431 6.63273 9.29384 13.2572 8.23791 8.50562 9.60968 13.7237 numMergedOcc 0
177 mol 131 unq 1 iso 3 dist 6.92648 6.63273 9.29384 7.58238 9.15431 13.2572 8.23791 8.50562 13.7237 9.60968 numMergedOcc 0
178 mol 131 unq 1 iso 4 dist 9.29384 13.2572 9.15431 6.63273 6.92648 7.58238 13.7237 8.50562 9.60968 8.23791 numMergedOcc 0
179 mol 131 unq 1 iso 5 dist 9.29384 6.63273 6.92648 13.2572 9.15431 7.58238 13.7237 8.50562 8.23791 9.60968 numMergedOcc 0
180 mol 186 unq 0 iso 0 dist 9.56197 9.41955 7.24795 8.04815 8.64409 13.684 9.74148 7.46987 7.30024 11.6919 numMergedOcc 0
181 mol 186 unq 0 iso 1 dist 9.56197 8.04815 8.64409 9.41955 7.24795 13.684 9.74148 7.46987 11.6919 7.30024 numMergedOcc 0
182 mol 186 unq 0 iso 2 dist 7.24795 9.41955 9.56197 13.684 8.64409 8.04815 7.30024 7.46987 9.74148 11.6919 numMergedOcc 0
183 mol 186 unq 0 iso 3 dist 7.24795 13.684 8.64409 9.41955 9.56197 8.04815 7.30024 7.46987 11.6919 9.74148 numMergedOcc 0
184 mol 186 unq 0 iso 4 dist 8.64409 8.04815 9.56197 13.684 7.24795 9.41955 11.6919 7.46987 9.74148 7.30024 numMergedOcc 0
185 mol 186 unq 0 iso 5 dist 8.64409 13.684 7.24795 8.04815 9.56197 9.41955 11.6919 7.46987 7.30024 9.74148 numMergedOcc 0
186 mol 186 unq 1 iso 0 dist 9.56197 9.41955 7.24795 5.92513 7.60202 9.45987 9.74148 7.46987 7.30024 5.3967 numMergedOcc 0
187 mol 186 unq 1 iso 1 dist 9.56197 5.92513 7.60202 9.41955 7.24795 9.45987 9.74148 7.46987 5.3967 7.30024 numMergedOcc 0
188 mol 186 unq 1 iso 2 dist 7.24795 9.41955 9.56197 9.45987 7.60202 5.92513 7.30024 7.46987 9.74148 5.3967 numMergedOcc 0
189 mol 186 unq 1 iso 3 dist 7.24795 9.45987 7.60202 9.41955 9.56197 5.92513 7.30024 7.46987 5.3967 9.74148 numMergedOcc 0
190 mol 186 unq 1 iso 4 dist 7.60202 5.92513 9.56197 9.45987 7.24795 9.41955 5.3967 7.46987 9.74148 7.30024 numMergedOcc 0
191 mol 186 unq 1 iso 5 dist 7.60202 9.45987 7.24795 5.92513 9.56197 9.41955 5.3967 7.46987 7.30024 9.74148 numMergedOcc 0
192 mol 186 unq 1 iso 0 dist 9.56197 8.04815 8.64409 5.92513 7.60202 7.18269 9.74148 7.46987 11.6919 5.3967 numMergedOcc 0
193 mol 186 unq 1 iso 1 dist 9.56197 5.92513 7.60202 8.04815 8.64409 7.18269 9.74148 7.46987 5.3967 11.6919 numMergedOcc 0
194 mol 186 unq 1 iso 2 dist 8.64409 8.04815 9.56197 7.18269 7.60202 5.92513 11.6919 7.46987 9.74148 5.3967 numMergedOcc 0
195 mol 186 unq 1 iso 3 dist 8.64409 7.18269 7.60202 8.04815 9.56197 5.92513 11.6919 7.46987 5.3967 9.74148 numMergedOcc 0
196 mol 186 unq 1 iso 4 dist 7.60202 5.92513 9.56197 7.18269 8.64409 8.04815 5.3967 7.46987 9.74148 11.6919 numMergedOcc 0
197 mol 186 unq 1 iso 5 dist 7.60202 7.18269 8.64409 5.92513 9.56197 8.04815 5.3967 7.46987 11.6919 9.74148 numMergedOcc 0
198 mol 186 unq 1 iso 0 dist 7.24795 13.684 8.64409 9.45987 7.60202 7.18269 7.30024 7.46987 11.6919 5.3967 numMergedOcc 0
199 mol 186 unq 1 iso 1 dist 7.24795 9.45987 7.60202 13.684 8.64409 7.18269 7.30024 7.46987 5.3967 11.6919 numMergedOcc 0
200 mol 186 unq 1 iso 2 dist 8.64409 13.684 7.24795 7.18269 7.60202 9.45987 11.6919 7.46987 7.30024 5.3967 numMergedOcc 0
201 mol 186 unq 1 iso 3 dist 8.64409 7.18269 7.60202 13.684 7.24795 9.45987 11.6919 7.46987 5.3967 7.30024 numMergedOcc 0
202 mol 186 unq 1 iso 4 dist 7.60202 9.45987 7.24795 7.18269 8.64409 13.684 5.3967 7.46987 7.30024 11.6919 numMergedOcc 0
203 mol 186 unq 1 iso 5 dist 7.60202 7.18269 8.64409 9.45987 7.24795 13.684 5.3967 7.46987 11.6919 7.30024 numMergedOcc 0
204 mol 194 unq 0 iso 0 dist 6.26839 8.0179 8.12346 14.6506 8.83356 13.5632 11.6598 5.68348 12.0887 7.11753 numMergedOcc 0
205 mol 194 unq 0 iso 1 dist 6.26839 14.6506 8.83356 8.0179 8.12346 13.5632 11.6598 5.68348 7.11753 12.0887 numMergedOcc 0
206 mol 194 unq 0 iso 2 dist 8.12346 8.0179 6.26839 13.5632 8.83356 14.6506 12.0887 5.68348 11.6598 7.11753 numMergedOcc 0
207 mol 194 unq 0 iso 3 dist 8.12346 13.5632 8.83356 8.0179 6.26839 14.6506 12.0887 5.68348 7.11753 11.6598 numMergedOcc 0
208 mol 194 unq 0 iso 4 dist 8.83356 14.6506 6.26839 13.5632 8.12346 8.0179 7.11753 5.68348 11.6598 12.0887 numMergedOcc 0
209 mol 194 unq 0 iso 5 dist 8.83356 13.5632 8.12346 14.6506 6.26839 8.0179 7.11753 5.68348 12.0887 11.6598 numMergedOcc 0
210 mol 194 unq 1 iso 0 dist 6.26839 8.0179 8.12346 8.48054 8.2654 6.26298 11.6598 5.68348 12.0887 12.8755 numMergedOcc 0
211 mol 194 unq 1 iso 1 dist 6.26839 8.48054 8.2654 8.0179 8.12346 6.26298 11.6598 5.68348 12.8755 12.0887 numMergedOcc 0
212 mol 194 unq 1 iso 2 dist 8.12346 8.0179 6.26839 6.26298 8.2654 8.48054 12.0887 5.68348 11.6598 12.8755 numMergedOcc 0
213 mol 194 unq 1 iso 3 dist 8.12346 6.26298 8.2654 8.0179 6.26839 8.48054 12.0887 5.68348 12.8755 11.6598 numMergedOcc 0
214 mol 194 unq 1 iso 4 dist 8.2654 8.48054 6.26839 6.26298 8.12346 8.0179 12.8755 5.68348 11.6598 12.0887 numMergedOcc 0
215 mol 194 unq 1 iso 5 dist 8.2654 6.26298 8.12346 8.48054 6.26839 8.0179 12.8755 5.68348 12.0887 11.6598 numMergedOcc 0
216 mol 194 unq 1 iso 0 dist 6.26839 14.6506 8.83356 8.48054 8.2654 11.6097 11.6598 5.68348 7.11753 12.8755 numMergedOcc 0
217 mol 194 unq 1 iso 1 dist 6.26839 8.48054 8.2654 14.6506 8.83356 11.6097 11.6598 5.68348 12.8755 7.11753 numMergedOcc 0
218 mol 194 unq 1 iso 2 dist 8.83356 14.6506 6.26839 11.6097 8.2654 8.48054 7.11753 5.68348 11.6598 12.8755 numMergedOcc 0
219 mol 194 unq 1 iso 3 dist 8.83356 11.6097 8.2654 14.6506 6.26839 8.48054 7.11753 5.68348 12.8755 11.6598 numMergedOcc 0
220 mol 194 unq 1 iso 4 dist 8.2654 8.48054 6.26839 11.6097 8.83356 14.6506 12.8755 5.68348 11.6598 7.11753 numMergedOcc 0
221 mol 194 unq 1 iso 5 dist 8.2654 11.6097 8.83356 8.48054 6.26839 14.6506 12.8755 5.68348 7.11753 11.6598 numMergedOcc 0
222 mol 194 unq 1 iso 0 dist 8.12346 13.5632 8.83356 6.26298 8.2654 11.6097 12.0887 5.68348 7.11753 12.8755 numMergedOcc 0
223 mol 194 unq 1 iso 1 dist 8.12346 6.26298 8.2654 13.5632 8.83356 11.6097 12.0887 5.68348 12.8755 7.11753 numMergedOcc 0
224 mol 194 unq 1 iso 2 dist 8.83356 13.5632 8.12346 11.6097 8.2654 6.26298 7.11753 5.68348 12.0887 12.8755 numMergedOcc 0
225 mol 194 unq 1 iso 3 dist 8.83356 11.6097 8.2654 13.5632 8.12346 6.26298 7.11753 5.68348 12.8755 12.0887 numMergedOcc 0
226 mol 194 unq 1 iso 4 dist 8.2654 6.26298 8.12346 11.6097 8.83356 13.5632 12.8755 5.68348 12.0887 7.11753 numMergedOcc 0
227 mol 194 unq 1 iso 5 dist 8.2654 11.6097 8.83356 6.26298 8.12346 13.5632 12.8755 5.68348 7.11753 12.0887 numMergedOcc 0
228 mol 218 unq 0 iso 0 dist 6.29367 4.72474 5.76954 6.17651 9.20961 5.61978 4.92618 8.3087 7.84019 10.9043 numMergedOcc 0
229 mol 218 unq 0 iso 1 dist 6.29367 6.17651 9.20961 4.72474 5.76954 5.61978 4.92618 8.3087 10.9043 7.84019 numMergedOcc 0
230 mol 218 unq 0 iso 2 dist 5.76954 4.72474 6.29367 5.61978 9.20961 6.17651 7.84019 8.3087 4.92618 10.9043 numMergedOcc 0
231 mol 218 unq 0 iso 3 dist 5.76954 5.61978 9.20961 4.72474 6.29367 6.17651 7.84019 8.3087 10.9043 4.92618 numMergedOcc 0
232 mol 218 unq 0 iso 4 dist 9.20961 6.17651 6.29367 5.61978 5.76954 4.72474 10.9043 8.3087 4.92618 7.84019 numMergedOcc 0
233 mol 218 unq 0 iso 5 dist 9.20961 5.61978 5.76954 6.17651 6.29367 4.72474 10.9043 8.3087 7.84019 4.92618 numMergedOcc 0
234 mol 222 unq 0 iso 0 dist 9.2581 9.57159 9.62632 10.5806 7.862 6.9154 5.89689 9.08955 10.6944 7.75466 numMergedOcc 0
235 mol 222 unq 0 iso 1 dist 9.2581 10.5806 7.862 9.57159 9.62632 6.9154 5.89689 9.08955 7.75466 10.6944 numMergedOcc 0
236 mol 222 unq 0 iso 2 dist 9.62632 9.57159 9.2581 6.9154 7.862 10.5806 10.6944 9.08955 5.89689 7.75466 numMergedOcc 0
237 mol 222 unq 0 iso 3 dist 9.62632 6.9154 7.862 9.57159 9.2581 10.5806 10.6944 9.08955 7.75466 5.89689 numMergedOcc 0
238 mol 222 unq 0 iso 4 dist 7.862 10.5806 9.2581 6.9154 9.62632 9.57159 7.75466 9.08955 5.89689 10.6944 numMergedOcc 0
239 mol 222 unq 0 iso 5 dist 7.862 6.9154 9.62632 10.5806 9.2581 9.57159 7.75466 9.08955 10.6944 5.89689 numMergedOcc 0
240 mol 222 unq 1 iso 0 dist 9.2581 9.57159 9.62632 10.5806 7.862 6.9154 8.92719 8.88664 15.4372 12.1951 numMergedOcc 0
241 mol 222 unq 1 iso 1 dist 9.2581 10.5806 7.862 9.57159 9.62632 6.9154 8.92719 8.88664 12.1951 15.4372 numMergedOcc 0
242 mol 222 unq 1 iso 2 dist 9.62632 9.57159 9.2581 6.9154 7.862 10.5806 15.4372 8.88664 8.92719 12.1951 numMergedOcc 0
243 mol 222 unq 1 iso 3 dist 9.62632 6.9154 7.862 9.57159 9.2581 10.5806 15.4372 8.88664 12.1951 8.92719 numMergedOcc 0
244 mol 222 unq 1 iso 4 dist 7.862 10.5806 9.2581 6.9154 9.62632 9.57159 12.1951 8.88664 8.92719 15.4372 numMergedOcc 0
245 mol 222 unq 1 iso 5 dist 7.862 6.9154 9.62632 10.5806 9.2581 9.57159 12.1951 8.88664 15.4372 8.92719 numMergedOcc 0
246 mol 222 unq 2 iso 0 dist 9.2581 9.57159 9.62632 10.5806 7.862 6.9154 5.82526 7.16819 12.9388 11.6161 numMergedOcc 0
247 mol 222 unq 2 iso 1 dist 9.2581 10.5806 7.862 9.57159 9.62632 6.9154 5.82526 7.16819 11.6161 12.9388 numMergedOcc 0
248 mol 222 unq 2 iso 2 dist 9.62632 9.57159 9.2581 6.9154 7.862 10.5806 12.9388 7.16819 5.82526 11.6161 numMergedOcc 0
249 mol 222 unq 2 iso 3 dist 9.62632 6.9154 7.862 9.57159 9.2581 10.5806 12.9388 7.16819 11.6161 5.82526 numMergedOcc 0
250 mol 222 unq 2 iso 4 dist 7.862 10.5806 9.2581 6.9154 9.62632 9.57159 11.6161 7.16819 5.82526 12.9388 numMergedOcc 0
251 mol 222 unq 2 iso 5 dist 7.862 6.9154 9.62632 10.5806 9.2581 9.57159 11.6161 7.16819 12.9388 5.82526 numMergedOcc 0
252 mol 272 unq 0 iso 0 dist 9.64269 6.6954 6.88809 8.12676 8.46061 7.34222 10.2227 9.18635 5.02308 6.32008 numMergedOcc 0
253 mol 272 unq 0 iso 1 dist 9.64269 8.12676 8.46061 6.6954 6.88809 7.34222 10.2227 9.18635 6.32008 5.02308 numMergedOcc 0
254 mol 272 unq 0 iso 2 dist 6.88809 6.6954 9.64269 7.34222 8.46061 8.12676 5.02308 9.18635 10.2227 6.32008 numMergedOcc 0
255 mol 272 unq 0 iso 3 dist 6.88809 7.34222 8.46061 6.6954 9.64269 8.12676 5.02308 9.18635 6.32008 10.2227 numMergedOcc 0
256 mol 272 unq 0 iso 4 dist 8.46061 8.12676 9.64269 7.34222 6.88809 6.6954 6.32008 9.18635 10.2227 5.02308 numMergedOcc 0
257 mol 272 unq 0 iso 5 dist 8.46061 7.34222 6.88809 8.12676 9.64269 6.6954 6.32008 9.18635 5.02308 10.2227 numMergedOcc 0
