0 mol 1 unq 0 iso 0 dist 8.26708 10.5521 7.73435 7.15595 5.71995 6.07818 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 8.26708 7.15595 5.71995 10.5521 7.73435 6.07818 numMergedOcc 0
2 mol 1 unq 1 iso 0 dist 6.09918 7.4817 7.73435 7.63941 5.71995 6.07818 numMergedOcc 0
3 mol 1 unq 1 iso 1 dist 6.09918 7.63941 5.71995 7.4817 7.73435 6.07818 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 6.82379 5.7531 7.12263 11.0223 5.00267 9.515 numMergedOcc 0
5 mol 8 unq 0 iso 1 dist 6.82379 11.0223 5.00267 5.7531 7.12263 9.515 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 6.24978 4.88215 7.12263 6.80407 5.00267 9.515 numMergedOcc 0
7 mol 8 unq 1 iso 1 dist 6.24978 6.80407 5.00267 4.88215 7.12263 9.515 numMergedOcc 0
8 mol 8 unq 2 iso 0 dist 9.66439 6.36434 7.12263 8.44094 5.00267 9.515 numMergedOcc 0
9 mol 8 unq 2 iso 1 dist 9.66439 8.44094 5.00267 6.36434 7.12263 9.515 numMergedOcc 0
10 mol 8 unq 3 iso 0 dist 7.3915 8.79272 7.12263 6.32152 5.00267 9.515 numMergedOcc 0
11 mol 8 unq 3 iso 1 dist 7.3915 6.32152 5.00267 8.79272 7.12263 9.515 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.72502 11.2106 9.40479 5.97304 9.38831 13.6675 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 6.72502 5.97304 9.38831 11.2106 9.40479 13.6675 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 4.93188 9.48345 9.40479 14.4162 9.58012 13.4961 numMergedOcc 0
15 mol 24 unq 1 iso 1 dist 4.93188 14.4162 9.58012 9.48345 9.40479 13.4961 numMergedOcc 0
16 mol 24 unq 2 iso 0 dist 9.24958 13.1456 9.40479 10.0655 9.58012 13.4961 numMergedOcc 0
17 mol 24 unq 2 iso 1 dist 9.24958 10.0655 9.58012 13.1456 9.40479 13.4961 numMergedOcc 0
18 mol 28 unq 0 iso 0 dist 7.28416 4.74049 9.72965 10.2179 5.63315 12.4034 numMergedOcc 0
19 mol 28 unq 0 iso 1 dist 7.28416 10.2179 5.63315 4.74049 9.72965 12.4034 numMergedOcc 0
20 mol 28 unq 1 iso 0 dist 7.28416 4.74049 9.72965 7.01194 9.8465 10.0322 numMergedOcc 0
21 mol 28 unq 1 iso 1 dist 7.28416 7.01194 9.8465 4.74049 9.72965 10.0322 numMergedOcc 0
22 mol 28 unq 1 iso 0 dist 7.28416 10.2179 5.63315 7.01194 9.8465 8.71076 numMergedOcc 0
23 mol 28 unq 1 iso 1 dist 7.28416 7.01194 9.8465 10.2179 5.63315 8.71076 numMergedOcc 0
24 mol 56 unq 0 iso 0 dist 8.63486 12.8132 6.91393 16.7219 8.40038 6.44494 numMergedOcc 0
25 mol 56 unq 0 iso 1 dist 8.63486 16.7219 8.40038 12.8132 6.91393 6.44494 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 8.86674 6.89636 8.48184 6.09514 9.01011 7.72337 numMergedOcc 0
27 mol 92 unq 0 iso 1 dist 8.86674 6.09514 9.01011 6.89636 8.48184 7.72337 numMergedOcc 0
28 mol 92 unq 1 iso 0 dist 8.65802 12.1157 8.03028 7.23437 7.39754 7.72337 numMergedOcc 0
29 mol 92 unq 1 iso 1 dist 8.65802 7.23437 7.39754 12.1157 8.03028 7.72337 numMergedOcc 0
30 mol 93 unq 0 iso 0 dist 9.81831 11.6865 5.51624 12.2598 7.8674 12.9364 numMergedOcc 0
31 mol 93 unq 0 iso 1 dist 9.81831 12.2598 7.8674 11.6865 5.51624 12.9364 numMergedOcc 0
32 mol 93 unq 1 iso 0 dist 9.12858 7.64463 5.51624 14.8533 7.8674 12.9364 numMergedOcc 0
33 mol 93 unq 1 iso 1 dist 9.12858 14.8533 7.8674 7.64463 5.51624 12.9364 numMergedOcc 0
34 mol 93 unq 2 iso 0 dist 9.4523 8.29171 5.51624 12.7936 7.8674 12.9364 numMergedOcc 0
35 mol 93 unq 2 iso 1 dist 9.4523 12.7936 7.8674 8.29171 5.51624 12.9364 numMergedOcc 0
36 mol 119 unq 0 iso 0 dist 7.77116 4.91132 8.03035 6.08167 7.6968 8.77578 numMergedOcc 0
37 mol 119 unq 0 iso 1 dist 7.77116 6.08167 7.6968 4.91132 8.03035 8.77578 numMergedOcc 0
38 mol 140 unq 0 iso 0 dist 8.64368 5.11372 5.39314 4.46582 5.3573 5.19894 numMergedOcc 0
39 mol 140 unq 0 iso 1 dist 8.64368 4.46582 5.3573 5.11372 5.39314 5.19894 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 8.35555 7.78913 8.60521 5.70788 6.39031 7.2676 numMergedOcc 0
41 mol 152 unq 0 iso 1 dist 8.35555 5.70788 6.39031 7.78913 8.60521 7.2676 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 9.31851 10.7975 4.9941 13.6634 8.06913 11.9157 numMergedOcc 0
43 mol 156 unq 0 iso 1 dist 9.31851 13.6634 8.06913 10.7975 4.9941 11.9157 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 6.2319 5.71107 4.9941 10.7023 8.06913 11.9157 numMergedOcc 0
45 mol 156 unq 1 iso 1 dist 6.2319 10.7023 8.06913 5.71107 4.9941 11.9157 numMergedOcc 0
46 mol 156 unq 2 iso 0 dist 5.38091 6.44255 5.90883 5.82636 8.06913 4.10961 numMergedOcc 0
47 mol 156 unq 2 iso 1 dist 5.38091 5.82636 8.06913 6.44255 5.90883 4.10961 numMergedOcc 0
48 mol 156 unq 3 iso 0 dist 9.97732 11.2067 4.9941 9.00862 8.06913 11.9157 numMergedOcc 0
49 mol 156 unq 3 iso 1 dist 9.97732 9.00862 8.06913 11.2067 4.9941 11.9157 numMergedOcc 0
50 mol 175 unq 0 iso 0 dist 8.0154 12.3408 7.32419 8.68081 8.31961 5.84099 numMergedOcc 0
51 mol 175 unq 0 iso 1 dist 8.0154 8.68081 8.31961 12.3408 7.32419 5.84099 numMergedOcc 0
52 mol 186 unq 0 iso 0 dist 7.20574 12.7155 7.55358 11.2142 8.87818 4.69503 numMergedOcc 0
53 mol 186 unq 0 iso 1 dist 7.20574 11.2142 8.87818 12.7155 7.55358 4.69503 numMergedOcc 0
54 mol 186 unq 1 iso 0 dist 9.56197 9.27818 7.55358 9.55926 7.60991 7.61858 numMergedOcc 0
55 mol 186 unq 1 iso 1 dist 9.56197 9.55926 7.60991 9.27818 7.55358 7.61858 numMergedOcc 0
56 mol 186 unq 2 iso 0 dist 7.24795 13.0197 7.55358 12.9082 7.60991 7.61858 numMergedOcc 0
57 mol 186 unq 2 iso 1 dist 7.24795 12.9082 7.60991 13.0197 7.55358 7.61858 numMergedOcc 0
58 mol 186 unq 3 iso 0 dist 8.64409 4.37002 7.55358 4.64235 7.60991 7.61858 numMergedOcc 0
59 mol 186 unq 3 iso 1 dist 8.64409 4.64235 7.60991 4.37002 7.55358 7.61858 numMergedOcc 0
60 mol 186 unq 4 iso 0 dist 7.60202 9.72941 7.55358 5.39885 7.60991 7.61858 numMergedOcc 0
61 mol 186 unq 4 iso 1 dist 7.60202 5.39885 7.60991 9.72941 7.55358 7.61858 numMergedOcc 0
62 mol 186 unq 5 iso 0 dist 6.85302 9.97575 7.55358 7.92653 8.87818 4.69503 numMergedOcc 0
63 mol 186 unq 5 iso 1 dist 6.85302 7.92653 8.87818 9.97575 7.55358 4.69503 numMergedOcc 0
64 mol 194 unq 0 iso 0 dist 6.26839 6.66155 5.52678 5.4499 9.81666 7.62717 numMergedOcc 0
65 mol 194 unq 0 iso 1 dist 6.26839 5.4499 9.81666 6.66155 5.52678 7.62717 numMergedOcc 0
66 mol 194 unq 1 iso 0 dist 8.12346 6.12973 5.52678 11.0239 9.81666 7.62717 numMergedOcc 0
67 mol 194 unq 1 iso 1 dist 8.12346 11.0239 9.81666 6.12973 5.52678 7.62717 numMergedOcc 0
68 mol 194 unq 2 iso 0 dist 8.83356 13.0333 5.52678 18.6469 9.81666 7.62717 numMergedOcc 0
69 mol 194 unq 2 iso 1 dist 8.83356 18.6469 9.81666 13.0333 5.52678 7.62717 numMergedOcc 0
70 mol 194 unq 3 iso 0 dist 8.2654 10.1796 5.52678 13.5457 9.81666 7.62717 numMergedOcc 0
71 mol 194 unq 3 iso 1 dist 8.2654 13.5457 9.81666 10.1796 5.52678 7.62717 numMergedOcc 0
72 mol 235 unq 0 iso 0 dist 6.39158 5.72331 9.81305 8.33772 6.89118 7.10598 numMergedOcc 0
73 mol 235 unq 0 iso 1 dist 6.39158 8.33772 6.89118 5.72331 9.81305 7.10598 numMergedOcc 0
74 mol 235 unq 1 iso 0 dist 7.75722 12.6437 9.81305 5.70265 6.89118 7.10598 numMergedOcc 0
75 mol 235 unq 1 iso 1 dist 7.75722 5.70265 6.89118 12.6437 9.81305 7.10598 numMergedOcc 0
76 mol 237 unq 0 iso 0 dist 9.4811 6.46131 7.31113 6.89616 8.10263 7.27576 numMergedOcc 0
77 mol 237 unq 0 iso 1 dist 9.4811 6.89616 8.10263 6.46131 7.31113 7.27576 numMergedOcc 0
78 mol 237 unq 1 iso 0 dist 9.4811 6.46131 7.31113 7.36499 6.45845 9.95884 numMergedOcc 0
79 mol 237 unq 1 iso 1 dist 9.4811 7.36499 6.45845 6.46131 7.31113 9.95884 numMergedOcc 0
80 mol 237 unq 2 iso 0 dist 9.4811 6.46131 7.31113 10.2142 9.53139 10.6191 numMergedOcc 0
81 mol 237 unq 2 iso 1 dist 9.4811 10.2142 9.53139 6.46131 7.31113 10.6191 numMergedOcc 0
82 mol 237 unq 1 iso 0 dist 9.4811 6.89616 8.10263 7.36499 6.45845 7.02925 numMergedOcc 0
83 mol 237 unq 1 iso 1 dist 9.4811 7.36499 6.45845 6.89616 8.10263 7.02925 numMergedOcc 0
84 mol 237 unq 2 iso 0 dist 9.4811 6.89616 8.10263 10.2142 9.53139 14.4939 numMergedOcc 0
85 mol 237 unq 2 iso 1 dist 9.4811 10.2142 9.53139 6.89616 8.10263 14.4939 numMergedOcc 0
86 mol 237 unq 2 iso 0 dist 9.4811 7.36499 6.45845 10.2142 9.53139 10.629 numMergedOcc 0
87 mol 237 unq 2 iso 1 dist 9.4811 10.2142 9.53139 7.36499 6.45845 10.629 numMergedOcc 0
88 mol 237 unq 3 iso 0 dist 6.50471 9.59927 7.31113 10.7975 8.10263 7.27576 numMergedOcc 0
89 mol 237 unq 3 iso 1 dist 6.50471 10.7975 8.10263 9.59927 7.31113 7.27576 numMergedOcc 0
90 mol 237 unq 4 iso 0 dist 6.50471 9.59927 7.31113 5.63225 6.45845 9.95884 numMergedOcc 0
91 mol 237 unq 4 iso 1 dist 6.50471 5.63225 6.45845 9.59927 7.31113 9.95884 numMergedOcc 0
92 mol 237 unq 5 iso 0 dist 6.50471 9.59927 7.31113 5.12181 9.53139 10.6191 numMergedOcc 0
93 mol 237 unq 5 iso 1 dist 6.50471 5.12181 9.53139 9.59927 7.31113 10.6191 numMergedOcc 0
94 mol 237 unq 4 iso 0 dist 6.50471 10.7975 8.10263 5.63225 6.45845 7.02925 numMergedOcc 0
95 mol 237 unq 4 iso 1 dist 6.50471 5.63225 6.45845 10.7975 8.10263 7.02925 numMergedOcc 0
96 mol 237 unq 5 iso 0 dist 6.50471 10.7975 8.10263 5.12181 9.53139 14.4939 numMergedOcc 0
97 mol 237 unq 5 iso 1 dist 6.50471 5.12181 9.53139 10.7975 8.10263 14.4939 numMergedOcc 0
98 mol 237 unq 5 iso 0 dist 6.50471 5.63225 6.45845 5.12181 9.53139 10.629 numMergedOcc 0
99 mol 237 unq 5 iso 1 dist 6.50471 5.12181 9.53139 5.63225 6.45845 10.629 numMergedOcc 0
100 mol 237 unq 6 iso 0 dist 7.42587 13.1083 9.84466 6.23145 6.16557 7.27576 numMergedOcc 0
101 mol 237 unq 6 iso 1 dist 7.42587 6.23145 6.16557 13.1083 9.84466 7.27576 numMergedOcc 0
102 mol 237 unq 7 iso 0 dist 7.42587 13.1083 9.84466 7.11441 5.4813 9.95884 numMergedOcc 0
103 mol 237 unq 7 iso 1 dist 7.42587 7.11441 5.4813 13.1083 9.84466 9.95884 numMergedOcc 0
104 mol 237 unq 7 iso 0 dist 7.42587 6.23145 6.16557 7.11441 5.4813 7.02925 numMergedOcc 0
105 mol 237 unq 7 iso 1 dist 7.42587 7.11441 5.4813 6.23145 6.16557 7.02925 numMergedOcc 0
