0 mol 8 unq 0 iso 0 dist 9.95165 15.9496 6.82379 14.678 6.24978 6.94408 16.9454 7.12263 5.7531 4.88215 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 9.95165 14.678 6.24978 15.9496 6.82379 6.94408 16.9454 7.12263 4.88215 5.7531 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.95165 15.9496 6.82379 14.678 6.24978 6.94408 8.95363 5.00267 11.0223 6.80407 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 9.95165 14.678 6.24978 15.9496 6.82379 6.94408 8.95363 5.00267 6.80407 11.0223 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 9.95165 15.9496 6.82379 17.3707 9.66439 11.2508 16.9454 7.12263 5.7531 6.36434 numMergedOcc 0
5 mol 8 unq 2 iso 1 dist 9.95165 17.3707 9.66439 15.9496 6.82379 11.2508 16.9454 7.12263 6.36434 5.7531 numMergedOcc 0
6 mol 8 unq 3 iso 0 dist 9.95165 15.9496 6.82379 17.3707 9.66439 11.2508 8.95363 5.00267 11.0223 8.44094 numMergedOcc 0
7 mol 8 unq 3 iso 1 dist 9.95165 17.3707 9.66439 15.9496 6.82379 11.2508 8.95363 5.00267 8.44094 11.0223 numMergedOcc 0
8 mol 8 unq 4 iso 0 dist 9.95165 15.9496 6.82379 12.915 7.3915 12.4076 16.9454 7.12263 5.7531 8.79272 numMergedOcc 0
9 mol 8 unq 4 iso 1 dist 9.95165 12.915 7.3915 15.9496 6.82379 12.4076 16.9454 7.12263 8.79272 5.7531 numMergedOcc 0
10 mol 8 unq 5 iso 0 dist 9.95165 15.9496 6.82379 12.915 7.3915 12.4076 8.95363 5.00267 11.0223 6.32152 numMergedOcc 0
11 mol 8 unq 5 iso 1 dist 9.95165 12.915 7.3915 15.9496 6.82379 12.4076 8.95363 5.00267 6.32152 11.0223 numMergedOcc 0
12 mol 8 unq 2 iso 0 dist 9.95165 14.678 6.24978 17.3707 9.66439 5.3787 16.9454 7.12263 4.88215 6.36434 numMergedOcc 0
13 mol 8 unq 2 iso 1 dist 9.95165 17.3707 9.66439 14.678 6.24978 5.3787 16.9454 7.12263 6.36434 4.88215 numMergedOcc 0
14 mol 8 unq 3 iso 0 dist 9.95165 14.678 6.24978 17.3707 9.66439 5.3787 8.95363 5.00267 6.80407 8.44094 numMergedOcc 0
15 mol 8 unq 3 iso 1 dist 9.95165 17.3707 9.66439 14.678 6.24978 5.3787 8.95363 5.00267 8.44094 6.80407 numMergedOcc 0
16 mol 8 unq 4 iso 0 dist 9.95165 14.678 6.24978 12.915 7.3915 9.22548 16.9454 7.12263 4.88215 8.79272 numMergedOcc 0
17 mol 8 unq 4 iso 1 dist 9.95165 12.915 7.3915 14.678 6.24978 9.22548 16.9454 7.12263 8.79272 4.88215 numMergedOcc 0
18 mol 8 unq 5 iso 0 dist 9.95165 14.678 6.24978 12.915 7.3915 9.22548 8.95363 5.00267 6.80407 6.32152 numMergedOcc 0
19 mol 8 unq 5 iso 1 dist 9.95165 12.915 7.3915 14.678 6.24978 9.22548 8.95363 5.00267 6.32152 6.80407 numMergedOcc 0
20 mol 8 unq 4 iso 0 dist 9.95165 17.3707 9.66439 12.915 7.3915 7.96511 16.9454 7.12263 6.36434 8.79272 numMergedOcc 0
21 mol 8 unq 4 iso 1 dist 9.95165 12.915 7.3915 17.3707 9.66439 7.96511 16.9454 7.12263 8.79272 6.36434 numMergedOcc 0
22 mol 8 unq 5 iso 0 dist 9.95165 17.3707 9.66439 12.915 7.3915 7.96511 8.95363 5.00267 8.44094 6.32152 numMergedOcc 0
23 mol 8 unq 5 iso 1 dist 9.95165 12.915 7.3915 17.3707 9.66439 7.96511 8.95363 5.00267 6.32152 8.44094 numMergedOcc 0
24 mol 19 unq 0 iso 0 dist 9.23617 11.8354 7.48847 14.4019 6.92532 10.8007 6.57527 7.69625 8.19436 10.3648 numMergedOcc 0
25 mol 19 unq 0 iso 1 dist 9.23617 14.4019 6.92532 11.8354 7.48847 10.8007 6.57527 7.69625 10.3648 8.19436 numMergedOcc 0
26 mol 19 unq 1 iso 0 dist 9.23617 11.8354 7.48847 10.38 6.36455 10.6598 6.57527 7.69625 8.19436 6.49317 numMergedOcc 0
27 mol 19 unq 1 iso 1 dist 9.23617 10.38 6.36455 11.8354 7.48847 10.6598 6.57527 7.69625 6.49317 8.19436 numMergedOcc 0
28 mol 19 unq 1 iso 0 dist 9.23617 14.4019 6.92532 10.38 6.36455 5.03957 6.57527 7.69625 10.3648 6.49317 numMergedOcc 0
29 mol 19 unq 1 iso 1 dist 9.23617 10.38 6.36455 14.4019 6.92532 5.03957 6.57527 7.69625 6.49317 10.3648 numMergedOcc 0
30 mol 19 unq 2 iso 0 dist 8.59114 5.67097 7.48847 14.3476 6.92532 10.8007 8.42839 7.69625 8.19436 10.3648 numMergedOcc 0
31 mol 19 unq 2 iso 1 dist 8.59114 14.3476 6.92532 5.67097 7.48847 10.8007 8.42839 7.69625 10.3648 8.19436 numMergedOcc 0
32 mol 19 unq 3 iso 0 dist 8.59114 5.67097 7.48847 12.7 6.36455 10.6598 8.42839 7.69625 8.19436 6.49317 numMergedOcc 0
33 mol 19 unq 3 iso 1 dist 8.59114 12.7 6.36455 5.67097 7.48847 10.6598 8.42839 7.69625 6.49317 8.19436 numMergedOcc 0
34 mol 19 unq 3 iso 0 dist 8.59114 14.3476 6.92532 12.7 6.36455 5.03957 8.42839 7.69625 10.3648 6.49317 numMergedOcc 0
35 mol 19 unq 3 iso 1 dist 8.59114 12.7 6.36455 14.3476 6.92532 5.03957 8.42839 7.69625 6.49317 10.3648 numMergedOcc 0
36 mol 19 unq 4 iso 0 dist 8.63204 15.2051 7.48847 6.57145 6.92532 10.8007 11.9235 7.69625 8.19436 10.3648 numMergedOcc 0
37 mol 19 unq 4 iso 1 dist 8.63204 6.57145 6.92532 15.2051 7.48847 10.8007 11.9235 7.69625 10.3648 8.19436 numMergedOcc 0
38 mol 19 unq 5 iso 0 dist 8.63204 15.2051 7.48847 6.01189 6.36455 10.6598 11.9235 7.69625 8.19436 6.49317 numMergedOcc 0
39 mol 19 unq 5 iso 1 dist 8.63204 6.01189 6.36455 15.2051 7.48847 10.6598 11.9235 7.69625 6.49317 8.19436 numMergedOcc 0
40 mol 19 unq 5 iso 0 dist 8.63204 6.57145 6.92532 6.01189 6.36455 5.03957 11.9235 7.69625 10.3648 6.49317 numMergedOcc 0
41 mol 19 unq 5 iso 1 dist 8.63204 6.01189 6.36455 6.57145 6.92532 5.03957 11.9235 7.69625 6.49317 10.3648 numMergedOcc 0
42 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 8.8926 7.83786 7.05502 13.674 9.38831 6.58998 11.0493 numMergedOcc 0
43 mol 24 unq 0 iso 1 dist 4.61828 8.8926 7.83786 9.20254 6.60423 7.05502 13.674 9.38831 11.0493 6.58998 numMergedOcc 0
44 mol 109 unq 0 iso 0 dist 9.08671 13.2962 8.67766 10.223 8.0831 6.48636 12.5938 9.92553 11.8348 15.0307 numMergedOcc 0
45 mol 109 unq 0 iso 1 dist 9.08671 10.223 8.0831 13.2962 8.67766 6.48636 12.5938 9.92553 15.0307 11.8348 numMergedOcc 0
46 mol 112 unq 0 iso 0 dist 7.35503 10.0299 7.23962 9.13496 9.00067 7.03147 6.80122 9.74569 6.89221 5.52645 numMergedOcc 0
47 mol 112 unq 0 iso 1 dist 7.35503 9.13496 9.00067 10.0299 7.23962 7.03147 6.80122 9.74569 5.52645 6.89221 numMergedOcc 0
48 mol 112 unq 1 iso 0 dist 7.35503 10.0299 7.23962 10.1793 9.89499 11.4954 6.80122 9.74569 6.89221 9.88449 numMergedOcc 0
49 mol 112 unq 1 iso 1 dist 7.35503 10.1793 9.89499 10.0299 7.23962 11.4954 6.80122 9.74569 9.88449 6.89221 numMergedOcc 0
50 mol 112 unq 2 iso 0 dist 7.35503 10.0299 7.23962 11.5698 7.30204 7.05226 6.80122 9.74569 6.89221 9.96887 numMergedOcc 0
51 mol 112 unq 2 iso 1 dist 7.35503 11.5698 7.30204 10.0299 7.23962 7.05226 6.80122 9.74569 9.96887 6.89221 numMergedOcc 0
52 mol 112 unq 1 iso 0 dist 7.35503 9.13496 9.00067 10.1793 9.89499 5.54347 6.80122 9.74569 5.52645 9.88449 numMergedOcc 0
53 mol 112 unq 1 iso 1 dist 7.35503 10.1793 9.89499 9.13496 9.00067 5.54347 6.80122 9.74569 9.88449 5.52645 numMergedOcc 0
54 mol 112 unq 2 iso 0 dist 7.35503 9.13496 9.00067 11.5698 7.30204 5.56241 6.80122 9.74569 5.52645 9.96887 numMergedOcc 0
55 mol 112 unq 2 iso 1 dist 7.35503 11.5698 7.30204 9.13496 9.00067 5.56241 6.80122 9.74569 9.96887 5.52645 numMergedOcc 0
56 mol 112 unq 2 iso 0 dist 7.35503 10.1793 9.89499 11.5698 7.30204 6.77737 6.80122 9.74569 9.88449 9.96887 numMergedOcc 0
57 mol 112 unq 2 iso 1 dist 7.35503 11.5698 7.30204 10.1793 9.89499 6.77737 6.80122 9.74569 9.96887 9.88449 numMergedOcc 0
58 mol 112 unq 3 iso 0 dist 8.79543 11.7503 7.23962 8.0952 9.00067 7.03147 7.8709 9.74569 6.89221 5.52645 numMergedOcc 0
59 mol 112 unq 3 iso 1 dist 8.79543 8.0952 9.00067 11.7503 7.23962 7.03147 7.8709 9.74569 5.52645 6.89221 numMergedOcc 0
60 mol 112 unq 4 iso 0 dist 8.79543 11.7503 7.23962 7.12714 9.89499 11.4954 7.8709 9.74569 6.89221 9.88449 numMergedOcc 0
61 mol 112 unq 4 iso 1 dist 8.79543 7.12714 9.89499 11.7503 7.23962 11.4954 7.8709 9.74569 9.88449 6.89221 numMergedOcc 0
62 mol 112 unq 5 iso 0 dist 8.79543 11.7503 7.23962 10.886 7.30204 7.05226 7.8709 9.74569 6.89221 9.96887 numMergedOcc 0
63 mol 112 unq 5 iso 1 dist 8.79543 10.886 7.30204 11.7503 7.23962 7.05226 7.8709 9.74569 9.96887 6.89221 numMergedOcc 0
64 mol 112 unq 4 iso 0 dist 8.79543 8.0952 9.00067 7.12714 9.89499 5.54347 7.8709 9.74569 5.52645 9.88449 numMergedOcc 0
65 mol 112 unq 4 iso 1 dist 8.79543 7.12714 9.89499 8.0952 9.00067 5.54347 7.8709 9.74569 9.88449 5.52645 numMergedOcc 0
66 mol 112 unq 5 iso 0 dist 8.79543 8.0952 9.00067 10.886 7.30204 5.56241 7.8709 9.74569 5.52645 9.96887 numMergedOcc 0
67 mol 112 unq 5 iso 1 dist 8.79543 10.886 7.30204 8.0952 9.00067 5.56241 7.8709 9.74569 9.96887 5.52645 numMergedOcc 0
68 mol 112 unq 5 iso 0 dist 8.79543 7.12714 9.89499 10.886 7.30204 6.77737 7.8709 9.74569 9.88449 9.96887 numMergedOcc 0
69 mol 112 unq 5 iso 1 dist 8.79543 10.886 7.30204 7.12714 9.89499 6.77737 7.8709 9.74569 9.96887 9.88449 numMergedOcc 0
70 mol 112 unq 6 iso 0 dist 6.48223 10.626 7.23962 8.19562 9.00067 7.03147 11.9632 9.74569 6.89221 5.52645 numMergedOcc 0
71 mol 112 unq 6 iso 1 dist 6.48223 8.19562 9.00067 10.626 7.23962 7.03147 11.9632 9.74569 5.52645 6.89221 numMergedOcc 0
72 mol 112 unq 7 iso 0 dist 6.48223 10.626 7.23962 5.71097 9.89499 11.4954 11.9632 9.74569 6.89221 9.88449 numMergedOcc 0
73 mol 112 unq 7 iso 1 dist 6.48223 5.71097 9.89499 10.626 7.23962 11.4954 11.9632 9.74569 9.88449 6.89221 numMergedOcc 0
74 mol 112 unq 8 iso 0 dist 6.48223 10.626 7.23962 5.27363 7.30204 7.05226 11.9632 9.74569 6.89221 9.96887 numMergedOcc 0
75 mol 112 unq 8 iso 1 dist 6.48223 5.27363 7.30204 10.626 7.23962 7.05226 11.9632 9.74569 9.96887 6.89221 numMergedOcc 0
76 mol 112 unq 7 iso 0 dist 6.48223 8.19562 9.00067 5.71097 9.89499 5.54347 11.9632 9.74569 5.52645 9.88449 numMergedOcc 0
77 mol 112 unq 7 iso 1 dist 6.48223 5.71097 9.89499 8.19562 9.00067 5.54347 11.9632 9.74569 9.88449 5.52645 numMergedOcc 0
78 mol 112 unq 8 iso 0 dist 6.48223 8.19562 9.00067 5.27363 7.30204 5.56241 11.9632 9.74569 5.52645 9.96887 numMergedOcc 0
79 mol 112 unq 8 iso 1 dist 6.48223 5.27363 7.30204 8.19562 9.00067 5.56241 11.9632 9.74569 9.96887 5.52645 numMergedOcc 0
80 mol 112 unq 8 iso 0 dist 6.48223 5.71097 9.89499 5.27363 7.30204 6.77737 11.9632 9.74569 9.88449 9.96887 numMergedOcc 0
81 mol 112 unq 8 iso 1 dist 6.48223 5.27363 7.30204 5.71097 9.89499 6.77737 11.9632 9.74569 9.96887 9.88449 numMergedOcc 0
82 mol 152 unq 0 iso 0 dist 9.19078 7.17016 9.77552 11.3742 8.28642 7.65448 6.79236 6.39031 7.2238 5.59336 numMergedOcc 0
83 mol 152 unq 0 iso 1 dist 9.19078 11.3742 8.28642 7.17016 9.77552 7.65448 6.79236 6.39031 5.59336 7.2238 numMergedOcc 0
84 mol 156 unq 0 iso 0 dist 9.17868 9.72865 9.31851 9.85133 6.2319 7.14831 7.59931 4.9941 10.7975 5.71107 numMergedOcc 0
85 mol 156 unq 0 iso 1 dist 9.17868 9.85133 6.2319 9.72865 9.31851 7.14831 7.59931 4.9941 5.71107 10.7975 numMergedOcc 0
86 mol 156 unq 1 iso 0 dist 9.17868 9.72865 9.31851 9.85133 6.2319 7.14831 17.1327 8.06913 13.6634 10.7023 numMergedOcc 0
87 mol 156 unq 1 iso 1 dist 9.17868 9.85133 6.2319 9.72865 9.31851 7.14831 17.1327 8.06913 10.7023 13.6634 numMergedOcc 0
88 mol 156 unq 2 iso 0 dist 9.17868 9.72865 9.31851 15.9362 9.97732 9.98789 7.59931 4.9941 10.7975 11.2067 numMergedOcc 0
89 mol 156 unq 2 iso 1 dist 9.17868 15.9362 9.97732 9.72865 9.31851 9.98789 7.59931 4.9941 11.2067 10.7975 numMergedOcc 0
90 mol 156 unq 3 iso 0 dist 9.17868 9.72865 9.31851 15.9362 9.97732 9.98789 17.1327 8.06913 13.6634 9.00862 numMergedOcc 0
91 mol 156 unq 3 iso 1 dist 9.17868 15.9362 9.97732 9.72865 9.31851 9.98789 17.1327 8.06913 9.00862 13.6634 numMergedOcc 0
92 mol 156 unq 2 iso 0 dist 9.17868 9.85133 6.2319 15.9362 9.97732 6.31306 7.59931 4.9941 5.71107 11.2067 numMergedOcc 0
93 mol 156 unq 2 iso 1 dist 9.17868 15.9362 9.97732 9.85133 6.2319 6.31306 7.59931 4.9941 11.2067 5.71107 numMergedOcc 0
94 mol 156 unq 3 iso 0 dist 9.17868 9.85133 6.2319 15.9362 9.97732 6.31306 17.1327 8.06913 10.7023 9.00862 numMergedOcc 0
95 mol 156 unq 3 iso 1 dist 9.17868 15.9362 9.97732 9.85133 6.2319 6.31306 17.1327 8.06913 9.00862 10.7023 numMergedOcc 0
96 mol 186 unq 0 iso 0 dist 4.97005 11.3961 9.56197 10.0248 7.24795 9.41955 10.0516 7.55358 9.27818 13.0197 numMergedOcc 0
97 mol 186 unq 0 iso 1 dist 4.97005 10.0248 7.24795 11.3961 9.56197 9.41955 10.0516 7.55358 13.0197 9.27818 numMergedOcc 0
98 mol 186 unq 1 iso 0 dist 4.97005 11.3961 9.56197 10.0248 7.24795 9.41955 5.57831 7.60991 9.55926 12.9082 numMergedOcc 0
99 mol 186 unq 1 iso 1 dist 4.97005 10.0248 7.24795 11.3961 9.56197 9.41955 5.57831 7.60991 12.9082 9.55926 numMergedOcc 0
100 mol 186 unq 2 iso 0 dist 4.97005 11.3961 9.56197 9.14781 8.64409 8.04815 10.0516 7.55358 9.27818 4.37002 numMergedOcc 0
101 mol 186 unq 2 iso 1 dist 4.97005 9.14781 8.64409 11.3961 9.56197 8.04815 10.0516 7.55358 4.37002 9.27818 numMergedOcc 0
102 mol 186 unq 3 iso 0 dist 4.97005 11.3961 9.56197 9.14781 8.64409 8.04815 5.57831 7.60991 9.55926 4.64235 numMergedOcc 0
103 mol 186 unq 3 iso 1 dist 4.97005 9.14781 8.64409 11.3961 9.56197 8.04815 5.57831 7.60991 4.64235 9.55926 numMergedOcc 0
104 mol 186 unq 4 iso 0 dist 4.97005 11.3961 9.56197 6.69897 7.60202 5.92513 10.0516 7.55358 9.27818 9.72941 numMergedOcc 0
105 mol 186 unq 4 iso 1 dist 4.97005 6.69897 7.60202 11.3961 9.56197 5.92513 10.0516 7.55358 9.72941 9.27818 numMergedOcc 0
106 mol 186 unq 5 iso 0 dist 4.97005 11.3961 9.56197 6.69897 7.60202 5.92513 5.57831 7.60991 9.55926 5.39885 numMergedOcc 0
107 mol 186 unq 5 iso 1 dist 4.97005 6.69897 7.60202 11.3961 9.56197 5.92513 5.57831 7.60991 5.39885 9.55926 numMergedOcc 0
108 mol 186 unq 2 iso 0 dist 4.97005 10.0248 7.24795 9.14781 8.64409 13.684 10.0516 7.55358 13.0197 4.37002 numMergedOcc 0
109 mol 186 unq 2 iso 1 dist 4.97005 9.14781 8.64409 10.0248 7.24795 13.684 10.0516 7.55358 4.37002 13.0197 numMergedOcc 0
110 mol 186 unq 3 iso 0 dist 4.97005 10.0248 7.24795 9.14781 8.64409 13.684 5.57831 7.60991 12.9082 4.64235 numMergedOcc 0
111 mol 186 unq 3 iso 1 dist 4.97005 9.14781 8.64409 10.0248 7.24795 13.684 5.57831 7.60991 4.64235 12.9082 numMergedOcc 0
112 mol 186 unq 4 iso 0 dist 4.97005 10.0248 7.24795 6.69897 7.60202 9.45987 10.0516 7.55358 13.0197 9.72941 numMergedOcc 0
113 mol 186 unq 4 iso 1 dist 4.97005 6.69897 7.60202 10.0248 7.24795 9.45987 10.0516 7.55358 9.72941 13.0197 numMergedOcc 0
114 mol 186 unq 5 iso 0 dist 4.97005 10.0248 7.24795 6.69897 7.60202 9.45987 5.57831 7.60991 12.9082 5.39885 numMergedOcc 0
115 mol 186 unq 5 iso 1 dist 4.97005 6.69897 7.60202 10.0248 7.24795 9.45987 5.57831 7.60991 5.39885 12.9082 numMergedOcc 0
116 mol 186 unq 4 iso 0 dist 4.97005 9.14781 8.64409 6.69897 7.60202 7.18269 10.0516 7.55358 4.37002 9.72941 numMergedOcc 0
117 mol 186 unq 4 iso 1 dist 4.97005 6.69897 7.60202 9.14781 8.64409 7.18269 10.0516 7.55358 9.72941 4.37002 numMergedOcc 0
118 mol 186 unq 5 iso 0 dist 4.97005 9.14781 8.64409 6.69897 7.60202 7.18269 5.57831 7.60991 4.64235 5.39885 numMergedOcc 0
119 mol 186 unq 5 iso 1 dist 4.97005 6.69897 7.60202 9.14781 8.64409 7.18269 5.57831 7.60991 5.39885 4.64235 numMergedOcc 0
120 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 15.3582 8.12346 8.0179 10.3444 5.52678 6.66155 6.12973 numMergedOcc 0
121 mol 194 unq 0 iso 1 dist 8.63008 15.3582 8.12346 13.445 6.26839 8.0179 10.3444 5.52678 6.12973 6.66155 numMergedOcc 0
122 mol 194 unq 1 iso 0 dist 8.63008 13.445 6.26839 15.3582 8.12346 8.0179 14.1482 9.81666 5.4499 11.0239 numMergedOcc 0
123 mol 194 unq 1 iso 1 dist 8.63008 15.3582 8.12346 13.445 6.26839 8.0179 14.1482 9.81666 11.0239 5.4499 numMergedOcc 0
124 mol 194 unq 2 iso 0 dist 8.63008 13.445 6.26839 10.977 8.83356 14.6506 10.3444 5.52678 6.66155 13.0333 numMergedOcc 0
125 mol 194 unq 2 iso 1 dist 8.63008 10.977 8.83356 13.445 6.26839 14.6506 10.3444 5.52678 13.0333 6.66155 numMergedOcc 0
126 mol 194 unq 3 iso 0 dist 8.63008 13.445 6.26839 10.977 8.83356 14.6506 14.1482 9.81666 5.4499 18.6469 numMergedOcc 0
127 mol 194 unq 3 iso 1 dist 8.63008 10.977 8.83356 13.445 6.26839 14.6506 14.1482 9.81666 18.6469 5.4499 numMergedOcc 0
128 mol 194 unq 4 iso 0 dist 8.63008 13.445 6.26839 16.6746 8.2654 8.48054 10.3444 5.52678 6.66155 10.1796 numMergedOcc 0
129 mol 194 unq 4 iso 1 dist 8.63008 16.6746 8.2654 13.445 6.26839 8.48054 10.3444 5.52678 10.1796 6.66155 numMergedOcc 0
130 mol 194 unq 5 iso 0 dist 8.63008 13.445 6.26839 16.6746 8.2654 8.48054 14.1482 9.81666 5.4499 13.5457 numMergedOcc 0
131 mol 194 unq 5 iso 1 dist 8.63008 16.6746 8.2654 13.445 6.26839 8.48054 14.1482 9.81666 13.5457 5.4499 numMergedOcc 0
132 mol 194 unq 2 iso 0 dist 8.63008 15.3582 8.12346 10.977 8.83356 13.5632 10.3444 5.52678 6.12973 13.0333 numMergedOcc 0
133 mol 194 unq 2 iso 1 dist 8.63008 10.977 8.83356 15.3582 8.12346 13.5632 10.3444 5.52678 13.0333 6.12973 numMergedOcc 0
134 mol 194 unq 3 iso 0 dist 8.63008 15.3582 8.12346 10.977 8.83356 13.5632 14.1482 9.81666 11.0239 18.6469 numMergedOcc 0
135 mol 194 unq 3 iso 1 dist 8.63008 10.977 8.83356 15.3582 8.12346 13.5632 14.1482 9.81666 18.6469 11.0239 numMergedOcc 0
136 mol 194 unq 4 iso 0 dist 8.63008 15.3582 8.12346 16.6746 8.2654 6.26298 10.3444 5.52678 6.12973 10.1796 numMergedOcc 0
137 mol 194 unq 4 iso 1 dist 8.63008 16.6746 8.2654 15.3582 8.12346 6.26298 10.3444 5.52678 10.1796 6.12973 numMergedOcc 0
138 mol 194 unq 5 iso 0 dist 8.63008 15.3582 8.12346 16.6746 8.2654 6.26298 14.1482 9.81666 11.0239 13.5457 numMergedOcc 0
139 mol 194 unq 5 iso 1 dist 8.63008 16.6746 8.2654 15.3582 8.12346 6.26298 14.1482 9.81666 13.5457 11.0239 numMergedOcc 0
140 mol 194 unq 4 iso 0 dist 8.63008 10.977 8.83356 16.6746 8.2654 11.6097 10.3444 5.52678 13.0333 10.1796 numMergedOcc 0
141 mol 194 unq 4 iso 1 dist 8.63008 16.6746 8.2654 10.977 8.83356 11.6097 10.3444 5.52678 10.1796 13.0333 numMergedOcc 0
142 mol 194 unq 5 iso 0 dist 8.63008 10.977 8.83356 16.6746 8.2654 11.6097 14.1482 9.81666 18.6469 13.5457 numMergedOcc 0
143 mol 194 unq 5 iso 1 dist 8.63008 16.6746 8.2654 10.977 8.83356 11.6097 14.1482 9.81666 13.5457 18.6469 numMergedOcc 0
144 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 10.8811 5.4694 5.22356 10.8608 9.56257 10.5813 7.22396 numMergedOcc 0
145 mol 227 unq 0 iso 1 dist 9.33735 10.8811 5.4694 15.9389 8.38865 5.22356 10.8608 9.56257 7.22396 10.5813 numMergedOcc 0
146 mol 237 unq 0 iso 0 dist 9.93731 15.2252 9.4811 7.3235 6.50471 7.94444 15.6478 7.31113 6.46131 9.59927 numMergedOcc 0
147 mol 237 unq 0 iso 1 dist 9.93731 7.3235 6.50471 15.2252 9.4811 7.94444 15.6478 7.31113 9.59927 6.46131 numMergedOcc 0
148 mol 237 unq 1 iso 0 dist 9.93731 15.2252 9.4811 7.3235 6.50471 7.94444 16.6047 8.10263 6.89616 10.7975 numMergedOcc 0
149 mol 237 unq 1 iso 1 dist 9.93731 7.3235 6.50471 15.2252 9.4811 7.94444 16.6047 8.10263 10.7975 6.89616 numMergedOcc 0
150 mol 237 unq 2 iso 0 dist 9.93731 15.2252 9.4811 7.3235 6.50471 7.94444 10.6184 6.45845 7.36499 5.63225 numMergedOcc 0
151 mol 237 unq 2 iso 1 dist 9.93731 7.3235 6.50471 15.2252 9.4811 7.94444 10.6184 6.45845 5.63225 7.36499 numMergedOcc 0
152 mol 237 unq 3 iso 0 dist 9.93731 15.2252 9.4811 7.3235 6.50471 7.94444 8.66993 9.53139 10.2142 5.12181 numMergedOcc 0
153 mol 237 unq 3 iso 1 dist 9.93731 7.3235 6.50471 15.2252 9.4811 7.94444 8.66993 9.53139 5.12181 10.2142 numMergedOcc 0
