0 mol 8 unq 0 iso 0 dist 9.95165 15.9496 6.82379 14.678 6.24978 6.94408 16.9034 8.77457 4.94497 5.61772 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.95165 14.678 6.24978 15.9496 6.82379 6.94408 16.9034 8.77457 5.61772 4.94497 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.95165 15.9496 6.82379 17.3707 9.66439 11.2508 16.9034 8.77457 4.94497 10.4848 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 9.95165 17.3707 9.66439 15.9496 6.82379 11.2508 16.9034 8.77457 10.4848 4.94497 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 9.95165 15.9496 6.82379 12.915 7.3915 12.4076 16.9034 8.77457 4.94497 14.1378 numMergedOcc 0
5 mol 8 unq 2 iso 1 dist 9.95165 12.915 7.3915 15.9496 6.82379 12.4076 16.9034 8.77457 14.1378 4.94497 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 9.95165 14.678 6.24978 17.3707 9.66439 5.3787 16.9034 8.77457 5.61772 10.4848 numMergedOcc 0
7 mol 8 unq 1 iso 1 dist 9.95165 17.3707 9.66439 14.678 6.24978 5.3787 16.9034 8.77457 10.4848 5.61772 numMergedOcc 0
8 mol 8 unq 2 iso 0 dist 9.95165 14.678 6.24978 12.915 7.3915 9.22548 16.9034 8.77457 5.61772 14.1378 numMergedOcc 0
9 mol 8 unq 2 iso 1 dist 9.95165 12.915 7.3915 14.678 6.24978 9.22548 16.9034 8.77457 14.1378 5.61772 numMergedOcc 0
10 mol 8 unq 2 iso 0 dist 9.95165 17.3707 9.66439 12.915 7.3915 7.96511 16.9034 8.77457 10.4848 14.1378 numMergedOcc 0
11 mol 8 unq 2 iso 1 dist 9.95165 12.915 7.3915 17.3707 9.66439 7.96511 16.9034 8.77457 14.1378 10.4848 numMergedOcc 0
12 mol 19 unq 0 iso 0 dist 9.23617 11.8354 7.48847 14.4019 6.92532 10.8007 12.9223 6.39966 6.42867 4.97119 numMergedOcc 0
13 mol 19 unq 0 iso 1 dist 9.23617 14.4019 6.92532 11.8354 7.48847 10.8007 12.9223 6.39966 4.97119 6.42867 numMergedOcc 0
14 mol 19 unq 1 iso 0 dist 9.23617 11.8354 7.48847 10.38 6.36455 10.6598 12.9223 6.39966 6.42867 6.01808 numMergedOcc 0
15 mol 19 unq 1 iso 1 dist 9.23617 10.38 6.36455 11.8354 7.48847 10.6598 12.9223 6.39966 6.01808 6.42867 numMergedOcc 0
16 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 10.38 6.36455 5.03957 12.9223 6.39966 4.97119 6.01808 numMergedOcc 0
17 mol 19 unq 1 iso 1 dist 9.23617 10.38 6.36455 14.4019 6.92532 5.03957 12.9223 6.39966 6.01808 4.97119 numMergedOcc 0
18 mol 19 unq 2 iso 0 dist 8.59114 5.67097 7.48847 14.3476 6.92532 10.8007 10.8426 6.39966 6.42867 4.97119 numMergedOcc 0
19 mol 19 unq 2 iso 1 dist 8.59114 14.3476 6.92532 5.67097 7.48847 10.8007 10.8426 6.39966 4.97119 6.42867 numMergedOcc 0
20 mol 19 unq 3 iso 0 dist 8.59114 5.67097 7.48847 12.7 6.36455 10.6598 10.8426 6.39966 6.42867 6.01808 numMergedOcc 0
21 mol 19 unq 3 iso 1 dist 8.59114 12.7 6.36455 5.67097 7.48847 10.6598 10.8426 6.39966 6.01808 6.42867 numMergedOcc 0
22 mol 19 unq 3 iso 0 dist 8.59114 14.3476 6.92532 12.7 6.36455 5.03957 10.8426 6.39966 4.97119 6.01808 numMergedOcc 0
23 mol 19 unq 3 iso 1 dist 8.59114 12.7 6.36455 14.3476 6.92532 5.03957 10.8426 6.39966 6.01808 4.97119 numMergedOcc 0
24 mol 19 unq 4 iso 0 dist 8.63204 15.2051 7.48847 6.57145 6.92532 10.8007 10.5195 6.39966 6.42867 4.97119 numMergedOcc 0
25 mol 19 unq 4 iso 1 dist 8.63204 6.57145 6.92532 15.2051 7.48847 10.8007 10.5195 6.39966 4.97119 6.42867 numMergedOcc 0
26 mol 19 unq 5 iso 0 dist 8.63204 15.2051 7.48847 6.01189 6.36455 10.6598 10.5195 6.39966 6.42867 6.01808 numMergedOcc 0
27 mol 19 unq 5 iso 1 dist 8.63204 6.01189 6.36455 15.2051 7.48847 10.6598 10.5195 6.39966 6.01808 6.42867 numMergedOcc 0
28 mol 19 unq 5 iso 0 dist 8.63204 6.57145 6.92532 6.01189 6.36455 5.03957 10.5195 6.39966 4.97119 6.01808 numMergedOcc 0
29 mol 19 unq 5 iso 1 dist 8.63204 6.01189 6.36455 6.57145 6.92532 5.03957 10.5195 6.39966 6.01808 4.97119 numMergedOcc 0
30 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 8.8926 7.83786 7.05502 10.7574 9.69752 4.32034 9.6469 numMergedOcc 0
31 mol 24 unq 0 iso 1 dist 4.61828 8.8926 7.83786 9.20254 6.60423 7.05502 10.7574 9.69752 9.6469 4.32034 numMergedOcc 0
32 mol 24 unq 1 iso 0 dist 4.61828 9.20254 6.60423 8.8926 7.83786 7.05502 12.8157 9.36461 8.52463 14.6654 numMergedOcc 0
33 mol 24 unq 1 iso 1 dist 4.61828 8.8926 7.83786 9.20254 6.60423 7.05502 12.8157 9.36461 14.6654 8.52463 numMergedOcc 0
34 mol 60 unq 0 iso 0 dist 7.4674 12.6215 9.96399 12.7297 7.55695 7.29309 9.42123 4.65127 11.2415 5.94827 numMergedOcc 0
35 mol 60 unq 0 iso 1 dist 7.4674 12.7297 7.55695 12.6215 9.96399 7.29309 9.42123 4.65127 5.94827 11.2415 numMergedOcc 0
36 mol 60 unq 1 iso 0 dist 7.4674 12.6215 9.96399 14.5723 8.82176 12.2509 9.42123 4.65127 11.2415 5.32257 numMergedOcc 0
37 mol 60 unq 1 iso 1 dist 7.4674 14.5723 8.82176 12.6215 9.96399 12.2509 9.42123 4.65127 5.32257 11.2415 numMergedOcc 0
38 mol 60 unq 1 iso 0 dist 7.4674 12.7297 7.55695 14.5723 8.82176 5.00018 9.42123 4.65127 5.94827 5.32257 numMergedOcc 0
39 mol 60 unq 1 iso 1 dist 7.4674 14.5723 8.82176 12.7297 7.55695 5.00018 9.42123 4.65127 5.32257 5.94827 numMergedOcc 0
40 mol 60 unq 2 iso 0 dist 8.4928 5.09908 9.96399 10.0675 7.55695 7.29309 11.6385 4.65127 11.2415 5.94827 numMergedOcc 0
41 mol 60 unq 2 iso 1 dist 8.4928 10.0675 7.55695 5.09908 9.96399 7.29309 11.6385 4.65127 5.94827 11.2415 numMergedOcc 0
42 mol 60 unq 3 iso 0 dist 8.4928 5.09908 9.96399 14.3334 8.82176 12.2509 11.6385 4.65127 11.2415 5.32257 numMergedOcc 0
43 mol 60 unq 3 iso 1 dist 8.4928 14.3334 8.82176 5.09908 9.96399 12.2509 11.6385 4.65127 5.32257 11.2415 numMergedOcc 0
44 mol 60 unq 3 iso 0 dist 8.4928 10.0675 7.55695 14.3334 8.82176 5.00018 11.6385 4.65127 5.94827 5.32257 numMergedOcc 0
45 mol 60 unq 3 iso 1 dist 8.4928 14.3334 8.82176 10.0675 7.55695 5.00018 11.6385 4.65127 5.32257 5.94827 numMergedOcc 0
46 mol 109 unq 0 iso 0 dist 9.08671 13.2962 8.67766 10.223 8.0831 6.48636 6.21014 6.76575 7.20706 5.35728 numMergedOcc 0
47 mol 109 unq 0 iso 1 dist 9.08671 10.223 8.0831 13.2962 8.67766 6.48636 6.21014 6.76575 5.35728 7.20706 numMergedOcc 0
48 mol 186 unq 0 iso 0 dist 4.97005 11.3961 9.56197 10.0248 7.24795 9.41955 5.80701 7.46987 9.74148 7.30024 numMergedOcc 0
49 mol 186 unq 0 iso 1 dist 4.97005 10.0248 7.24795 11.3961 9.56197 9.41955 5.80701 7.46987 7.30024 9.74148 numMergedOcc 0
50 mol 186 unq 1 iso 0 dist 4.97005 11.3961 9.56197 9.14781 8.64409 8.04815 5.80701 7.46987 9.74148 11.6919 numMergedOcc 0
51 mol 186 unq 1 iso 1 dist 4.97005 9.14781 8.64409 11.3961 9.56197 8.04815 5.80701 7.46987 11.6919 9.74148 numMergedOcc 0
52 mol 186 unq 2 iso 0 dist 4.97005 11.3961 9.56197 6.69897 7.60202 5.92513 5.80701 7.46987 9.74148 5.3967 numMergedOcc 0
53 mol 186 unq 2 iso 1 dist 4.97005 6.69897 7.60202 11.3961 9.56197 5.92513 5.80701 7.46987 5.3967 9.74148 numMergedOcc 0
54 mol 186 unq 1 iso 0 dist 4.97005 10.0248 7.24795 9.14781 8.64409 13.684 5.80701 7.46987 7.30024 11.6919 numMergedOcc 0
55 mol 186 unq 1 iso 1 dist 4.97005 9.14781 8.64409 10.0248 7.24795 13.684 5.80701 7.46987 11.6919 7.30024 numMergedOcc 0
56 mol 186 unq 2 iso 0 dist 4.97005 10.0248 7.24795 6.69897 7.60202 9.45987 5.80701 7.46987 7.30024 5.3967 numMergedOcc 0
57 mol 186 unq 2 iso 1 dist 4.97005 6.69897 7.60202 10.0248 7.24795 9.45987 5.80701 7.46987 5.3967 7.30024 numMergedOcc 0
58 mol 186 unq 2 iso 0 dist 4.97005 9.14781 8.64409 6.69897 7.60202 7.18269 5.80701 7.46987 11.6919 5.3967 numMergedOcc 0
59 mol 186 unq 2 iso 1 dist 4.97005 6.69897 7.60202 9.14781 8.64409 7.18269 5.80701 7.46987 5.3967 11.6919 numMergedOcc 0
60 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 15.3582 8.12346 8.0179 4.44921 5.68348 11.6598 12.0887 numMergedOcc 0
61 mol 194 unq 0 iso 1 dist 8.63008 15.3582 8.12346 13.445 6.26839 8.0179 4.44921 5.68348 12.0887 11.6598 numMergedOcc 0
62 mol 194 unq 1 iso 0 dist 8.63008 13.445 6.26839 10.977 8.83356 14.6506 4.44921 5.68348 11.6598 7.11753 numMergedOcc 0
63 mol 194 unq 1 iso 1 dist 8.63008 10.977 8.83356 13.445 6.26839 14.6506 4.44921 5.68348 7.11753 11.6598 numMergedOcc 0
64 mol 194 unq 2 iso 0 dist 8.63008 13.445 6.26839 16.6746 8.2654 8.48054 4.44921 5.68348 11.6598 12.8755 numMergedOcc 0
65 mol 194 unq 2 iso 1 dist 8.63008 16.6746 8.2654 13.445 6.26839 8.48054 4.44921 5.68348 12.8755 11.6598 numMergedOcc 0
66 mol 194 unq 1 iso 0 dist 8.63008 15.3582 8.12346 10.977 8.83356 13.5632 4.44921 5.68348 12.0887 7.11753 numMergedOcc 0
67 mol 194 unq 1 iso 1 dist 8.63008 10.977 8.83356 15.3582 8.12346 13.5632 4.44921 5.68348 7.11753 12.0887 numMergedOcc 0
68 mol 194 unq 2 iso 0 dist 8.63008 15.3582 8.12346 16.6746 8.2654 6.26298 4.44921 5.68348 12.0887 12.8755 numMergedOcc 0
69 mol 194 unq 2 iso 1 dist 8.63008 16.6746 8.2654 15.3582 8.12346 6.26298 4.44921 5.68348 12.8755 12.0887 numMergedOcc 0
70 mol 194 unq 2 iso 0 dist 8.63008 10.977 8.83356 16.6746 8.2654 11.6097 4.44921 5.68348 7.11753 12.8755 numMergedOcc 0
71 mol 194 unq 2 iso 1 dist 8.63008 16.6746 8.2654 10.977 8.83356 11.6097 4.44921 5.68348 12.8755 7.11753 numMergedOcc 0
72 mol 222 unq 0 iso 0 dist 9.04499 15.0199 9.2581 8.88 9.62632 9.57159 13.0565 9.08955 5.89689 10.6944 numMergedOcc 0
73 mol 222 unq 0 iso 1 dist 9.04499 8.88 9.62632 15.0199 9.2581 9.57159 13.0565 9.08955 10.6944 5.89689 numMergedOcc 0
74 mol 222 unq 1 iso 0 dist 9.04499 15.0199 9.2581 8.88 9.62632 9.57159 15.9525 8.88664 8.92719 15.4372 numMergedOcc 0
75 mol 222 unq 1 iso 1 dist 9.04499 8.88 9.62632 15.0199 9.2581 9.57159 15.9525 8.88664 15.4372 8.92719 numMergedOcc 0
76 mol 222 unq 2 iso 0 dist 9.04499 15.0199 9.2581 8.88 9.62632 9.57159 15.2255 7.16819 5.82526 12.9388 numMergedOcc 0
77 mol 222 unq 2 iso 1 dist 9.04499 8.88 9.62632 15.0199 9.2581 9.57159 15.2255 7.16819 12.9388 5.82526 numMergedOcc 0
78 mol 222 unq 3 iso 0 dist 9.04499 15.0199 9.2581 5.68063 7.862 10.5806 13.0565 9.08955 5.89689 7.75466 numMergedOcc 0
79 mol 222 unq 3 iso 1 dist 9.04499 5.68063 7.862 15.0199 9.2581 10.5806 13.0565 9.08955 7.75466 5.89689 numMergedOcc 0
80 mol 222 unq 4 iso 0 dist 9.04499 15.0199 9.2581 5.68063 7.862 10.5806 15.9525 8.88664 8.92719 12.1951 numMergedOcc 0
81 mol 222 unq 4 iso 1 dist 9.04499 5.68063 7.862 15.0199 9.2581 10.5806 15.9525 8.88664 12.1951 8.92719 numMergedOcc 0
82 mol 222 unq 5 iso 0 dist 9.04499 15.0199 9.2581 5.68063 7.862 10.5806 15.2255 7.16819 5.82526 11.6161 numMergedOcc 0
83 mol 222 unq 5 iso 1 dist 9.04499 5.68063 7.862 15.0199 9.2581 10.5806 15.2255 7.16819 11.6161 5.82526 numMergedOcc 0
84 mol 222 unq 3 iso 0 dist 9.04499 8.88 9.62632 5.68063 7.862 6.9154 13.0565 9.08955 10.6944 7.75466 numMergedOcc 0
85 mol 222 unq 3 iso 1 dist 9.04499 5.68063 7.862 8.88 9.62632 6.9154 13.0565 9.08955 7.75466 10.6944 numMergedOcc 0
86 mol 222 unq 4 iso 0 dist 9.04499 8.88 9.62632 5.68063 7.862 6.9154 15.9525 8.88664 15.4372 12.1951 numMergedOcc 0
87 mol 222 unq 4 iso 1 dist 9.04499 5.68063 7.862 8.88 9.62632 6.9154 15.9525 8.88664 12.1951 15.4372 numMergedOcc 0
88 mol 222 unq 5 iso 0 dist 9.04499 8.88 9.62632 5.68063 7.862 6.9154 15.2255 7.16819 12.9388 11.6161 numMergedOcc 0
89 mol 222 unq 5 iso 1 dist 9.04499 5.68063 7.862 8.88 9.62632 6.9154 15.2255 7.16819 11.6161 12.9388 numMergedOcc 0
90 mol 272 unq 0 iso 0 dist 7.11691 11.9042 9.64269 9.87214 6.88809 6.6954 8.64133 9.18635 10.2227 5.02308 numMergedOcc 0
91 mol 272 unq 0 iso 1 dist 7.11691 9.87214 6.88809 11.9042 9.64269 6.6954 8.64133 9.18635 5.02308 10.2227 numMergedOcc 0
92 mol 272 unq 1 iso 0 dist 7.11691 11.9042 9.64269 5.27123 8.46061 8.12676 8.64133 9.18635 10.2227 6.32008 numMergedOcc 0
93 mol 272 unq 1 iso 1 dist 7.11691 5.27123 8.46061 11.9042 9.64269 8.12676 8.64133 9.18635 6.32008 10.2227 numMergedOcc 0
94 mol 272 unq 1 iso 0 dist 7.11691 9.87214 6.88809 5.27123 8.46061 7.34222 8.64133 9.18635 5.02308 6.32008 numMergedOcc 0
95 mol 272 unq 1 iso 1 dist 7.11691 5.27123 8.46061 9.87214 6.88809 7.34222 8.64133 9.18635 6.32008 5.02308 numMergedOcc 0
96 mol 279 unq 0 iso 0 dist 8.84798 13.8061 8.29305 7.7504 6.43341 6.67478 10.8394 9.30921 9.37316 5.58929 numMergedOcc 0
97 mol 279 unq 0 iso 1 dist 8.84798 7.7504 6.43341 13.8061 8.29305 6.67478 10.8394 9.30921 5.58929 9.37316 numMergedOcc 0
