0 mol 26 unq 0 iso 0 dist 5.69955 9.78225 8.6385 8.25132 6.73167 7.73394 4.94205 7.40948 7.42064 10.1642 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 5.69955 9.78225 8.6385 4.94205 7.40948 7.42064 8.25132 6.73167 7.73394 10.1642 numMergedOcc 0
2 mol 26 unq 0 iso 2 dist 8.6385 9.78225 5.69955 7.73394 6.73167 8.25132 7.42064 7.40948 4.94205 10.1642 numMergedOcc 0
3 mol 26 unq 0 iso 3 dist 8.6385 9.78225 5.69955 7.42064 7.40948 4.94205 7.73394 6.73167 8.25132 10.1642 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 16.1023 7.8435 12.4934 13.1721 5.99269 11.0537 5.21654 numMergedOcc 0
5 mol 93 unq 0 iso 1 dist 9.81831 6.30447 9.12858 13.1721 5.99269 11.0537 16.1023 7.8435 12.4934 5.21654 numMergedOcc 0
6 mol 93 unq 0 iso 2 dist 9.12858 6.30447 9.81831 12.4934 7.8435 16.1023 11.0537 5.99269 13.1721 5.21654 numMergedOcc 0
7 mol 93 unq 0 iso 3 dist 9.12858 6.30447 9.81831 11.0537 5.99269 13.1721 12.4934 7.8435 16.1023 5.21654 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.81831 6.30447 9.12858 16.1023 7.8435 12.4934 9.34182 5.71763 12.0103 13.3531 numMergedOcc 0
9 mol 93 unq 1 iso 1 dist 9.81831 6.30447 9.12858 9.34182 5.71763 12.0103 16.1023 7.8435 12.4934 13.3531 numMergedOcc 0
10 mol 93 unq 1 iso 2 dist 9.12858 6.30447 9.81831 12.4934 7.8435 16.1023 12.0103 5.71763 9.34182 13.3531 numMergedOcc 0
11 mol 93 unq 1 iso 3 dist 9.12858 6.30447 9.81831 12.0103 5.71763 9.34182 12.4934 7.8435 16.1023 13.3531 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 9.81831 6.30447 9.12858 13.1721 5.99269 11.0537 9.34182 5.71763 12.0103 10.7398 numMergedOcc 0
13 mol 93 unq 1 iso 1 dist 9.81831 6.30447 9.12858 9.34182 5.71763 12.0103 13.1721 5.99269 11.0537 10.7398 numMergedOcc 0
14 mol 93 unq 1 iso 2 dist 9.12858 6.30447 9.81831 11.0537 5.99269 13.1721 12.0103 5.71763 9.34182 10.7398 numMergedOcc 0
15 mol 93 unq 1 iso 3 dist 9.12858 6.30447 9.81831 12.0103 5.71763 9.34182 11.0537 5.99269 13.1721 10.7398 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 9.81831 9.91939 9.4523 16.1023 7.8435 10.8106 13.1721 5.99269 7.14217 5.21654 numMergedOcc 0
17 mol 93 unq 2 iso 1 dist 9.81831 9.91939 9.4523 13.1721 5.99269 7.14217 16.1023 7.8435 10.8106 5.21654 numMergedOcc 0
18 mol 93 unq 2 iso 2 dist 9.4523 9.91939 9.81831 10.8106 7.8435 16.1023 7.14217 5.99269 13.1721 5.21654 numMergedOcc 0
19 mol 93 unq 2 iso 3 dist 9.4523 9.91939 9.81831 7.14217 5.99269 13.1721 10.8106 7.8435 16.1023 5.21654 numMergedOcc 0
20 mol 93 unq 3 iso 0 dist 9.81831 9.91939 9.4523 16.1023 7.8435 10.8106 9.34182 5.71763 12.9351 13.3531 numMergedOcc 0
21 mol 93 unq 3 iso 1 dist 9.81831 9.91939 9.4523 9.34182 5.71763 12.9351 16.1023 7.8435 10.8106 13.3531 numMergedOcc 0
22 mol 93 unq 3 iso 2 dist 9.4523 9.91939 9.81831 10.8106 7.8435 16.1023 12.9351 5.71763 9.34182 13.3531 numMergedOcc 0
23 mol 93 unq 3 iso 3 dist 9.4523 9.91939 9.81831 12.9351 5.71763 9.34182 10.8106 7.8435 16.1023 13.3531 numMergedOcc 0
24 mol 93 unq 3 iso 0 dist 9.81831 9.91939 9.4523 13.1721 5.99269 7.14217 9.34182 5.71763 12.9351 10.7398 numMergedOcc 0
25 mol 93 unq 3 iso 1 dist 9.81831 9.91939 9.4523 9.34182 5.71763 12.9351 13.1721 5.99269 7.14217 10.7398 numMergedOcc 0
26 mol 93 unq 3 iso 2 dist 9.4523 9.91939 9.81831 7.14217 5.99269 13.1721 12.9351 5.71763 9.34182 10.7398 numMergedOcc 0
27 mol 93 unq 3 iso 3 dist 9.4523 9.91939 9.81831 12.9351 5.71763 9.34182 7.14217 5.99269 13.1721 10.7398 numMergedOcc 0
28 mol 93 unq 2 iso 0 dist 9.12858 7.66728 9.4523 12.4934 7.8435 10.8106 11.0537 5.99269 7.14217 5.21654 numMergedOcc 0
29 mol 93 unq 2 iso 1 dist 9.12858 7.66728 9.4523 11.0537 5.99269 7.14217 12.4934 7.8435 10.8106 5.21654 numMergedOcc 0
30 mol 93 unq 2 iso 2 dist 9.4523 7.66728 9.12858 10.8106 7.8435 12.4934 7.14217 5.99269 11.0537 5.21654 numMergedOcc 0
31 mol 93 unq 2 iso 3 dist 9.4523 7.66728 9.12858 7.14217 5.99269 11.0537 10.8106 7.8435 12.4934 5.21654 numMergedOcc 0
32 mol 93 unq 3 iso 0 dist 9.12858 7.66728 9.4523 12.4934 7.8435 10.8106 12.0103 5.71763 12.9351 13.3531 numMergedOcc 0
33 mol 93 unq 3 iso 1 dist 9.12858 7.66728 9.4523 12.0103 5.71763 12.9351 12.4934 7.8435 10.8106 13.3531 numMergedOcc 0
34 mol 93 unq 3 iso 2 dist 9.4523 7.66728 9.12858 10.8106 7.8435 12.4934 12.9351 5.71763 12.0103 13.3531 numMergedOcc 0
35 mol 93 unq 3 iso 3 dist 9.4523 7.66728 9.12858 12.9351 5.71763 12.0103 10.8106 7.8435 12.4934 13.3531 numMergedOcc 0
36 mol 93 unq 3 iso 0 dist 9.12858 7.66728 9.4523 11.0537 5.99269 7.14217 12.0103 5.71763 12.9351 10.7398 numMergedOcc 0
37 mol 93 unq 3 iso 1 dist 9.12858 7.66728 9.4523 12.0103 5.71763 12.9351 11.0537 5.99269 7.14217 10.7398 numMergedOcc 0
38 mol 93 unq 3 iso 2 dist 9.4523 7.66728 9.12858 7.14217 5.99269 11.0537 12.9351 5.71763 12.0103 10.7398 numMergedOcc 0
39 mol 93 unq 3 iso 3 dist 9.4523 7.66728 9.12858 12.9351 5.71763 12.0103 7.14217 5.99269 11.0537 10.7398 numMergedOcc 0
40 mol 112 unq 0 iso 0 dist 6.43433 5.0812 9.92283 10.5563 5.43933 12.6108 6.95317 4.99604 10.9279 6.86881 numMergedOcc 0
41 mol 112 unq 0 iso 1 dist 6.43433 5.0812 9.92283 6.95317 4.99604 10.9279 10.5563 5.43933 12.6108 6.86881 numMergedOcc 0
42 mol 112 unq 0 iso 2 dist 9.92283 5.0812 6.43433 12.6108 5.43933 10.5563 10.9279 4.99604 6.95317 6.86881 numMergedOcc 0
43 mol 112 unq 0 iso 3 dist 9.92283 5.0812 6.43433 10.9279 4.99604 6.95317 12.6108 5.43933 10.5563 6.86881 numMergedOcc 0
44 mol 112 unq 1 iso 0 dist 6.43433 5.0812 9.92283 10.5563 5.43933 12.6108 13.5094 9.97483 13.764 5.20124 numMergedOcc 0
45 mol 112 unq 1 iso 1 dist 6.43433 5.0812 9.92283 13.5094 9.97483 13.764 10.5563 5.43933 12.6108 5.20124 numMergedOcc 0
46 mol 112 unq 1 iso 2 dist 9.92283 5.0812 6.43433 12.6108 5.43933 10.5563 13.764 9.97483 13.5094 5.20124 numMergedOcc 0
47 mol 112 unq 1 iso 3 dist 9.92283 5.0812 6.43433 13.764 9.97483 13.5094 12.6108 5.43933 10.5563 5.20124 numMergedOcc 0
48 mol 112 unq 2 iso 0 dist 6.43433 5.0812 9.92283 10.5563 5.43933 12.6108 6.75738 7.44041 5.43385 9.41803 numMergedOcc 0
49 mol 112 unq 2 iso 1 dist 6.43433 5.0812 9.92283 6.75738 7.44041 5.43385 10.5563 5.43933 12.6108 9.41803 numMergedOcc 0
50 mol 112 unq 2 iso 2 dist 9.92283 5.0812 6.43433 12.6108 5.43933 10.5563 5.43385 7.44041 6.75738 9.41803 numMergedOcc 0
51 mol 112 unq 2 iso 3 dist 9.92283 5.0812 6.43433 5.43385 7.44041 6.75738 12.6108 5.43933 10.5563 9.41803 numMergedOcc 0
52 mol 112 unq 1 iso 0 dist 6.43433 5.0812 9.92283 6.95317 4.99604 10.9279 13.5094 9.97483 13.764 10.8861 numMergedOcc 0
53 mol 112 unq 1 iso 1 dist 6.43433 5.0812 9.92283 13.5094 9.97483 13.764 6.95317 4.99604 10.9279 10.8861 numMergedOcc 0
54 mol 112 unq 1 iso 2 dist 9.92283 5.0812 6.43433 10.9279 4.99604 6.95317 13.764 9.97483 13.5094 10.8861 numMergedOcc 0
55 mol 112 unq 1 iso 3 dist 9.92283 5.0812 6.43433 13.764 9.97483 13.5094 10.9279 4.99604 6.95317 10.8861 numMergedOcc 0
56 mol 112 unq 2 iso 0 dist 6.43433 5.0812 9.92283 6.95317 4.99604 10.9279 6.75738 7.44041 5.43385 10.5905 numMergedOcc 0
57 mol 112 unq 2 iso 1 dist 6.43433 5.0812 9.92283 6.75738 7.44041 5.43385 6.95317 4.99604 10.9279 10.5905 numMergedOcc 0
58 mol 112 unq 2 iso 2 dist 9.92283 5.0812 6.43433 10.9279 4.99604 6.95317 5.43385 7.44041 6.75738 10.5905 numMergedOcc 0
59 mol 112 unq 2 iso 3 dist 9.92283 5.0812 6.43433 5.43385 7.44041 6.75738 10.9279 4.99604 6.95317 10.5905 numMergedOcc 0
60 mol 112 unq 2 iso 0 dist 6.43433 5.0812 9.92283 13.5094 9.97483 13.764 6.75738 7.44041 5.43385 10.596 numMergedOcc 0
61 mol 112 unq 2 iso 1 dist 6.43433 5.0812 9.92283 6.75738 7.44041 5.43385 13.5094 9.97483 13.764 10.596 numMergedOcc 0
62 mol 112 unq 2 iso 2 dist 9.92283 5.0812 6.43433 13.764 9.97483 13.5094 5.43385 7.44041 6.75738 10.596 numMergedOcc 0
63 mol 112 unq 2 iso 3 dist 9.92283 5.0812 6.43433 5.43385 7.44041 6.75738 13.764 9.97483 13.5094 10.596 numMergedOcc 0
64 mol 134 unq 0 iso 0 dist 7.36779 5.62899 8.20836 14.2036 8.48313 16.4114 10.092 6.99345 12.8086 6.05407 numMergedOcc 0
65 mol 134 unq 0 iso 1 dist 7.36779 5.62899 8.20836 10.092 6.99345 12.8086 14.2036 8.48313 16.4114 6.05407 numMergedOcc 0
66 mol 134 unq 0 iso 2 dist 8.20836 5.62899 7.36779 16.4114 8.48313 14.2036 12.8086 6.99345 10.092 6.05407 numMergedOcc 0
67 mol 134 unq 0 iso 3 dist 8.20836 5.62899 7.36779 12.8086 6.99345 10.092 16.4114 8.48313 14.2036 6.05407 numMergedOcc 0
68 mol 134 unq 1 iso 0 dist 7.36779 5.62899 8.20836 14.2036 8.48313 16.4114 4.46337 5.11043 7.41373 10.5379 numMergedOcc 0
69 mol 134 unq 1 iso 1 dist 7.36779 5.62899 8.20836 4.46337 5.11043 7.41373 14.2036 8.48313 16.4114 10.5379 numMergedOcc 0
70 mol 134 unq 1 iso 2 dist 8.20836 5.62899 7.36779 16.4114 8.48313 14.2036 7.41373 5.11043 4.46337 10.5379 numMergedOcc 0
71 mol 134 unq 1 iso 3 dist 8.20836 5.62899 7.36779 7.41373 5.11043 4.46337 16.4114 8.48313 14.2036 10.5379 numMergedOcc 0
72 mol 134 unq 1 iso 0 dist 7.36779 5.62899 8.20836 10.092 6.99345 12.8086 4.46337 5.11043 7.41373 5.83782 numMergedOcc 0
73 mol 134 unq 1 iso 1 dist 7.36779 5.62899 8.20836 4.46337 5.11043 7.41373 10.092 6.99345 12.8086 5.83782 numMergedOcc 0
74 mol 134 unq 1 iso 2 dist 8.20836 5.62899 7.36779 12.8086 6.99345 10.092 7.41373 5.11043 4.46337 5.83782 numMergedOcc 0
75 mol 134 unq 1 iso 3 dist 8.20836 5.62899 7.36779 7.41373 5.11043 4.46337 12.8086 6.99345 10.092 5.83782 numMergedOcc 0
76 mol 194 unq 0 iso 0 dist 6.26839 8.0179 8.12346 10.0756 5.53324 10.2793 11.8031 6.72182 9.09233 9.10229 numMergedOcc 0
77 mol 194 unq 0 iso 1 dist 6.26839 8.0179 8.12346 11.8031 6.72182 9.09233 10.0756 5.53324 10.2793 9.10229 numMergedOcc 0
78 mol 194 unq 0 iso 2 dist 8.12346 8.0179 6.26839 10.2793 5.53324 10.0756 9.09233 6.72182 11.8031 9.10229 numMergedOcc 0
79 mol 194 unq 0 iso 3 dist 8.12346 8.0179 6.26839 9.09233 6.72182 11.8031 10.2793 5.53324 10.0756 9.10229 numMergedOcc 0
80 mol 194 unq 1 iso 0 dist 6.26839 14.6506 8.83356 10.0756 5.53324 10.463 11.8031 6.72182 4.66791 9.10229 numMergedOcc 0
81 mol 194 unq 1 iso 1 dist 6.26839 14.6506 8.83356 11.8031 6.72182 4.66791 10.0756 5.53324 10.463 9.10229 numMergedOcc 0
82 mol 194 unq 1 iso 2 dist 8.83356 14.6506 6.26839 10.463 5.53324 10.0756 4.66791 6.72182 11.8031 9.10229 numMergedOcc 0
83 mol 194 unq 1 iso 3 dist 8.83356 14.6506 6.26839 4.66791 6.72182 11.8031 10.463 5.53324 10.0756 9.10229 numMergedOcc 0
84 mol 194 unq 2 iso 0 dist 6.26839 8.48054 8.2654 10.0756 5.53324 12.8494 11.8031 6.72182 7.73551 9.10229 numMergedOcc 0
85 mol 194 unq 2 iso 1 dist 6.26839 8.48054 8.2654 11.8031 6.72182 7.73551 10.0756 5.53324 12.8494 9.10229 numMergedOcc 0
86 mol 194 unq 2 iso 2 dist 8.2654 8.48054 6.26839 12.8494 5.53324 10.0756 7.73551 6.72182 11.8031 9.10229 numMergedOcc 0
87 mol 194 unq 2 iso 3 dist 8.2654 8.48054 6.26839 7.73551 6.72182 11.8031 12.8494 5.53324 10.0756 9.10229 numMergedOcc 0
88 mol 194 unq 1 iso 0 dist 8.12346 13.5632 8.83356 10.2793 5.53324 10.463 9.09233 6.72182 4.66791 9.10229 numMergedOcc 0
89 mol 194 unq 1 iso 1 dist 8.12346 13.5632 8.83356 9.09233 6.72182 4.66791 10.2793 5.53324 10.463 9.10229 numMergedOcc 0
90 mol 194 unq 1 iso 2 dist 8.83356 13.5632 8.12346 10.463 5.53324 10.2793 4.66791 6.72182 9.09233 9.10229 numMergedOcc 0
91 mol 194 unq 1 iso 3 dist 8.83356 13.5632 8.12346 4.66791 6.72182 9.09233 10.463 5.53324 10.2793 9.10229 numMergedOcc 0
92 mol 194 unq 2 iso 0 dist 8.12346 6.26298 8.2654 10.2793 5.53324 12.8494 9.09233 6.72182 7.73551 9.10229 numMergedOcc 0
93 mol 194 unq 2 iso 1 dist 8.12346 6.26298 8.2654 9.09233 6.72182 7.73551 10.2793 5.53324 12.8494 9.10229 numMergedOcc 0
94 mol 194 unq 2 iso 2 dist 8.2654 6.26298 8.12346 12.8494 5.53324 10.2793 7.73551 6.72182 9.09233 9.10229 numMergedOcc 0
95 mol 194 unq 2 iso 3 dist 8.2654 6.26298 8.12346 7.73551 6.72182 9.09233 12.8494 5.53324 10.2793 9.10229 numMergedOcc 0
96 mol 194 unq 2 iso 0 dist 8.83356 11.6097 8.2654 10.463 5.53324 12.8494 4.66791 6.72182 7.73551 9.10229 numMergedOcc 0
97 mol 194 unq 2 iso 1 dist 8.83356 11.6097 8.2654 4.66791 6.72182 7.73551 10.463 5.53324 12.8494 9.10229 numMergedOcc 0
98 mol 194 unq 2 iso 2 dist 8.2654 11.6097 8.83356 12.8494 5.53324 10.463 7.73551 6.72182 4.66791 9.10229 numMergedOcc 0
99 mol 194 unq 2 iso 3 dist 8.2654 11.6097 8.83356 7.73551 6.72182 4.66791 12.8494 5.53324 10.463 9.10229 numMergedOcc 0
100 mol 195 unq 0 iso 0 dist 6.60567 10.7531 7.62942 5.41635 6.34234 6.04871 11.9954 7.87972 8.04534 10.558 numMergedOcc 0
101 mol 195 unq 0 iso 1 dist 6.60567 10.7531 7.62942 11.9954 7.87972 8.04534 5.41635 6.34234 6.04871 10.558 numMergedOcc 0
102 mol 195 unq 0 iso 2 dist 7.62942 10.7531 6.60567 6.04871 6.34234 5.41635 8.04534 7.87972 11.9954 10.558 numMergedOcc 0
103 mol 195 unq 0 iso 3 dist 7.62942 10.7531 6.60567 8.04534 7.87972 11.9954 6.04871 6.34234 5.41635 10.558 numMergedOcc 0
104 mol 198 unq 0 iso 0 dist 9.18635 11.6493 8.10985 5.33039 8.8864 9.76488 10.1469 8.12201 6.0599 5.85034 numMergedOcc 0
105 mol 198 unq 0 iso 1 dist 9.18635 11.6493 8.10985 10.1469 8.12201 6.0599 5.33039 8.8864 9.76488 5.85034 numMergedOcc 0
106 mol 198 unq 0 iso 2 dist 8.10985 11.6493 9.18635 9.76488 8.8864 5.33039 6.0599 8.12201 10.1469 5.85034 numMergedOcc 0
107 mol 198 unq 0 iso 3 dist 8.10985 11.6493 9.18635 6.0599 8.12201 10.1469 9.76488 8.8864 5.33039 5.85034 numMergedOcc 0
108 mol 198 unq 1 iso 0 dist 9.18635 11.6493 8.10985 5.33039 8.8864 9.76488 5.76471 5.45162 6.05382 5.38093 numMergedOcc 0
109 mol 198 unq 1 iso 1 dist 9.18635 11.6493 8.10985 5.76471 5.45162 6.05382 5.33039 8.8864 9.76488 5.38093 numMergedOcc 0
110 mol 198 unq 1 iso 2 dist 8.10985 11.6493 9.18635 9.76488 8.8864 5.33039 6.05382 5.45162 5.76471 5.38093 numMergedOcc 0
111 mol 198 unq 1 iso 3 dist 8.10985 11.6493 9.18635 6.05382 5.45162 5.76471 9.76488 8.8864 5.33039 5.38093 numMergedOcc 0
112 mol 198 unq 1 iso 0 dist 9.18635 11.6493 8.10985 10.1469 8.12201 6.0599 5.76471 5.45162 6.05382 6.06126 numMergedOcc 0
113 mol 198 unq 1 iso 1 dist 9.18635 11.6493 8.10985 5.76471 5.45162 6.05382 10.1469 8.12201 6.0599 6.06126 numMergedOcc 0
114 mol 198 unq 1 iso 2 dist 8.10985 11.6493 9.18635 6.0599 8.12201 10.1469 6.05382 5.45162 5.76471 6.06126 numMergedOcc 0
115 mol 198 unq 1 iso 3 dist 8.10985 11.6493 9.18635 6.05382 5.45162 5.76471 6.0599 8.12201 10.1469 6.06126 numMergedOcc 0
116 mol 222 unq 0 iso 0 dist 9.2581 9.57159 9.62632 9.01393 7.97027 13.3586 6.25425 6.81955 5.16212 11.4035 numMergedOcc 0
117 mol 222 unq 0 iso 1 dist 9.2581 9.57159 9.62632 6.25425 6.81955 5.16212 9.01393 7.97027 13.3586 11.4035 numMergedOcc 0
118 mol 222 unq 0 iso 2 dist 9.62632 9.57159 9.2581 13.3586 7.97027 9.01393 5.16212 6.81955 6.25425 11.4035 numMergedOcc 0
119 mol 222 unq 0 iso 3 dist 9.62632 9.57159 9.2581 5.16212 6.81955 6.25425 13.3586 7.97027 9.01393 11.4035 numMergedOcc 0
120 mol 222 unq 1 iso 0 dist 9.2581 9.57159 9.62632 9.01393 7.97027 13.3586 5.64455 4.9876 5.9478 8.10209 numMergedOcc 0
121 mol 222 unq 1 iso 1 dist 9.2581 9.57159 9.62632 5.64455 4.9876 5.9478 9.01393 7.97027 13.3586 8.10209 numMergedOcc 0
122 mol 222 unq 1 iso 2 dist 9.62632 9.57159 9.2581 13.3586 7.97027 9.01393 5.9478 4.9876 5.64455 8.10209 numMergedOcc 0
123 mol 222 unq 1 iso 3 dist 9.62632 9.57159 9.2581 5.9478 4.9876 5.64455 13.3586 7.97027 9.01393 8.10209 numMergedOcc 0
124 mol 222 unq 1 iso 0 dist 9.2581 9.57159 9.62632 6.25425 6.81955 5.16212 5.64455 4.9876 5.9478 3.52491 numMergedOcc 0
125 mol 222 unq 1 iso 1 dist 9.2581 9.57159 9.62632 5.64455 4.9876 5.9478 6.25425 6.81955 5.16212 3.52491 numMergedOcc 0
126 mol 222 unq 1 iso 2 dist 9.62632 9.57159 9.2581 5.16212 6.81955 6.25425 5.9478 4.9876 5.64455 3.52491 numMergedOcc 0
127 mol 222 unq 1 iso 3 dist 9.62632 9.57159 9.2581 5.9478 4.9876 5.64455 5.16212 6.81955 6.25425 3.52491 numMergedOcc 0
128 mol 222 unq 2 iso 0 dist 9.2581 10.5806 7.862 9.01393 7.97027 8.84507 6.25425 6.81955 8.67203 11.4035 numMergedOcc 0
129 mol 222 unq 2 iso 1 dist 9.2581 10.5806 7.862 6.25425 6.81955 8.67203 9.01393 7.97027 8.84507 11.4035 numMergedOcc 0
130 mol 222 unq 2 iso 2 dist 7.862 10.5806 9.2581 8.84507 7.97027 9.01393 8.67203 6.81955 6.25425 11.4035 numMergedOcc 0
131 mol 222 unq 2 iso 3 dist 7.862 10.5806 9.2581 8.67203 6.81955 6.25425 8.84507 7.97027 9.01393 11.4035 numMergedOcc 0
132 mol 222 unq 3 iso 0 dist 9.2581 10.5806 7.862 9.01393 7.97027 8.84507 5.64455 4.9876 6.02502 8.10209 numMergedOcc 0
133 mol 222 unq 3 iso 1 dist 9.2581 10.5806 7.862 5.64455 4.9876 6.02502 9.01393 7.97027 8.84507 8.10209 numMergedOcc 0
134 mol 222 unq 3 iso 2 dist 7.862 10.5806 9.2581 8.84507 7.97027 9.01393 6.02502 4.9876 5.64455 8.10209 numMergedOcc 0
135 mol 222 unq 3 iso 3 dist 7.862 10.5806 9.2581 6.02502 4.9876 5.64455 8.84507 7.97027 9.01393 8.10209 numMergedOcc 0
136 mol 222 unq 3 iso 0 dist 9.2581 10.5806 7.862 6.25425 6.81955 8.67203 5.64455 4.9876 6.02502 3.52491 numMergedOcc 0
137 mol 222 unq 3 iso 1 dist 9.2581 10.5806 7.862 5.64455 4.9876 6.02502 6.25425 6.81955 8.67203 3.52491 numMergedOcc 0
138 mol 222 unq 3 iso 2 dist 7.862 10.5806 9.2581 8.67203 6.81955 6.25425 6.02502 4.9876 5.64455 3.52491 numMergedOcc 0
139 mol 222 unq 3 iso 3 dist 7.862 10.5806 9.2581 6.02502 4.9876 5.64455 8.67203 6.81955 6.25425 3.52491 numMergedOcc 0
140 mol 222 unq 2 iso 0 dist 9.62632 6.9154 7.862 13.3586 7.97027 8.84507 5.16212 6.81955 8.67203 11.4035 numMergedOcc 0
141 mol 222 unq 2 iso 1 dist 9.62632 6.9154 7.862 5.16212 6.81955 8.67203 13.3586 7.97027 8.84507 11.4035 numMergedOcc 0
142 mol 222 unq 2 iso 2 dist 7.862 6.9154 9.62632 8.84507 7.97027 13.3586 8.67203 6.81955 5.16212 11.4035 numMergedOcc 0
143 mol 222 unq 2 iso 3 dist 7.862 6.9154 9.62632 8.67203 6.81955 5.16212 8.84507 7.97027 13.3586 11.4035 numMergedOcc 0
144 mol 222 unq 3 iso 0 dist 9.62632 6.9154 7.862 13.3586 7.97027 8.84507 5.9478 4.9876 6.02502 8.10209 numMergedOcc 0
145 mol 222 unq 3 iso 1 dist 9.62632 6.9154 7.862 5.9478 4.9876 6.02502 13.3586 7.97027 8.84507 8.10209 numMergedOcc 0
146 mol 222 unq 3 iso 2 dist 7.862 6.9154 9.62632 8.84507 7.97027 13.3586 6.02502 4.9876 5.9478 8.10209 numMergedOcc 0
147 mol 222 unq 3 iso 3 dist 7.862 6.9154 9.62632 6.02502 4.9876 5.9478 8.84507 7.97027 13.3586 8.10209 numMergedOcc 0
148 mol 222 unq 3 iso 0 dist 9.62632 6.9154 7.862 5.16212 6.81955 8.67203 5.9478 4.9876 6.02502 3.52491 numMergedOcc 0
149 mol 222 unq 3 iso 1 dist 9.62632 6.9154 7.862 5.9478 4.9876 6.02502 5.16212 6.81955 8.67203 3.52491 numMergedOcc 0
150 mol 222 unq 3 iso 2 dist 7.862 6.9154 9.62632 8.67203 6.81955 5.16212 6.02502 4.9876 5.9478 3.52491 numMergedOcc 0
151 mol 222 unq 3 iso 3 dist 7.862 6.9154 9.62632 6.02502 4.9876 5.9478 8.67203 6.81955 5.16212 3.52491 numMergedOcc 0
152 mol 229 unq 0 iso 0 dist 8.92743 6.94172 8.08082 11.0437 6.42694 5.66641 11.9989 7.63917 7.4175 6.12355 numMergedOcc 0
153 mol 229 unq 0 iso 1 dist 8.92743 6.94172 8.08082 11.9989 7.63917 7.4175 11.0437 6.42694 5.66641 6.12355 numMergedOcc 0
154 mol 229 unq 0 iso 2 dist 8.08082 6.94172 8.92743 5.66641 6.42694 11.0437 7.4175 7.63917 11.9989 6.12355 numMergedOcc 0
155 mol 229 unq 0 iso 3 dist 8.08082 6.94172 8.92743 7.4175 7.63917 11.9989 5.66641 6.42694 11.0437 6.12355 numMergedOcc 0
156 mol 229 unq 1 iso 0 dist 8.92743 7.0298 5.77318 11.0437 6.42694 7.46815 11.9989 7.63917 5.37687 6.12355 numMergedOcc 0
157 mol 229 unq 1 iso 1 dist 8.92743 7.0298 5.77318 11.9989 7.63917 5.37687 11.0437 6.42694 7.46815 6.12355 numMergedOcc 0
158 mol 229 unq 1 iso 2 dist 5.77318 7.0298 8.92743 7.46815 6.42694 11.0437 5.37687 7.63917 11.9989 6.12355 numMergedOcc 0
159 mol 229 unq 1 iso 3 dist 5.77318 7.0298 8.92743 5.37687 7.63917 11.9989 7.46815 6.42694 11.0437 6.12355 numMergedOcc 0
160 mol 229 unq 2 iso 0 dist 8.92743 15.7694 8.19603 11.0437 6.42694 6.62766 11.9989 7.63917 6.03803 6.12355 numMergedOcc 0
161 mol 229 unq 2 iso 1 dist 8.92743 15.7694 8.19603 11.9989 7.63917 6.03803 11.0437 6.42694 6.62766 6.12355 numMergedOcc 0
162 mol 229 unq 2 iso 2 dist 8.19603 15.7694 8.92743 6.62766 6.42694 11.0437 6.03803 7.63917 11.9989 6.12355 numMergedOcc 0
163 mol 229 unq 2 iso 3 dist 8.19603 15.7694 8.92743 6.03803 7.63917 11.9989 6.62766 6.42694 11.0437 6.12355 numMergedOcc 0
164 mol 229 unq 1 iso 0 dist 8.08082 5.5729 5.77318 5.66641 6.42694 7.46815 7.4175 7.63917 5.37687 6.12355 numMergedOcc 0
165 mol 229 unq 1 iso 1 dist 8.08082 5.5729 5.77318 7.4175 7.63917 5.37687 5.66641 6.42694 7.46815 6.12355 numMergedOcc 0
166 mol 229 unq 1 iso 2 dist 5.77318 5.5729 8.08082 7.46815 6.42694 5.66641 5.37687 7.63917 7.4175 6.12355 numMergedOcc 0
167 mol 229 unq 1 iso 3 dist 5.77318 5.5729 8.08082 5.37687 7.63917 7.4175 7.46815 6.42694 5.66641 6.12355 numMergedOcc 0
168 mol 229 unq 2 iso 0 dist 8.08082 11.3041 8.19603 5.66641 6.42694 6.62766 7.4175 7.63917 6.03803 6.12355 numMergedOcc 0
169 mol 229 unq 2 iso 1 dist 8.08082 11.3041 8.19603 7.4175 7.63917 6.03803 5.66641 6.42694 6.62766 6.12355 numMergedOcc 0
170 mol 229 unq 2 iso 2 dist 8.19603 11.3041 8.08082 6.62766 6.42694 5.66641 6.03803 7.63917 7.4175 6.12355 numMergedOcc 0
171 mol 229 unq 2 iso 3 dist 8.19603 11.3041 8.08082 6.03803 7.63917 7.4175 6.62766 6.42694 5.66641 6.12355 numMergedOcc 0
172 mol 229 unq 2 iso 0 dist 5.77318 9.96077 8.19603 7.46815 6.42694 6.62766 5.37687 7.63917 6.03803 6.12355 numMergedOcc 0
173 mol 229 unq 2 iso 1 dist 5.77318 9.96077 8.19603 5.37687 7.63917 6.03803 7.46815 6.42694 6.62766 6.12355 numMergedOcc 0
174 mol 229 unq 2 iso 2 dist 8.19603 9.96077 5.77318 6.62766 6.42694 7.46815 6.03803 7.63917 5.37687 6.12355 numMergedOcc 0
175 mol 229 unq 2 iso 3 dist 8.19603 9.96077 5.77318 6.03803 7.63917 5.37687 6.62766 6.42694 7.46815 6.12355 numMergedOcc 0
176 mol 252 unq 0 iso 0 dist 8.47784 13.2361 8.66469 6.62402 8.19529 8.71281 10.2463 6.45396 4.54582 5.1765 numMergedOcc 0
177 mol 252 unq 0 iso 1 dist 8.47784 13.2361 8.66469 10.2463 6.45396 4.54582 6.62402 8.19529 8.71281 5.1765 numMergedOcc 0
178 mol 252 unq 0 iso 2 dist 8.66469 13.2361 8.47784 8.71281 8.19529 6.62402 4.54582 6.45396 10.2463 5.1765 numMergedOcc 0
179 mol 252 unq 0 iso 3 dist 8.66469 13.2361 8.47784 4.54582 6.45396 10.2463 8.71281 8.19529 6.62402 5.1765 numMergedOcc 0
180 mol 264 unq 0 iso 0 dist 7.52281 8.96144 6.42588 5.71153 6.02757 6.56539 6.87635 8.67231 4.76241 5.23295 numMergedOcc 0
181 mol 264 unq 0 iso 1 dist 7.52281 8.96144 6.42588 6.87635 8.67231 4.76241 5.71153 6.02757 6.56539 5.23295 numMergedOcc 0
182 mol 264 unq 0 iso 2 dist 6.42588 8.96144 7.52281 6.56539 6.02757 5.71153 4.76241 8.67231 6.87635 5.23295 numMergedOcc 0
183 mol 264 unq 0 iso 3 dist 6.42588 8.96144 7.52281 4.76241 8.67231 6.87635 6.56539 6.02757 5.71153 5.23295 numMergedOcc 0
184 mol 278 unq 0 iso 0 dist 7.67245 5.74345 9.12395 13.5923 8.63072 10.9571 10.0918 7.59696 6.48173 5.75667 numMergedOcc 0
185 mol 278 unq 0 iso 1 dist 7.67245 5.74345 9.12395 10.0918 7.59696 6.48173 13.5923 8.63072 10.9571 5.75667 numMergedOcc 0
186 mol 278 unq 0 iso 2 dist 9.12395 5.74345 7.67245 10.9571 8.63072 13.5923 6.48173 7.59696 10.0918 5.75667 numMergedOcc 0
187 mol 278 unq 0 iso 3 dist 9.12395 5.74345 7.67245 6.48173 7.59696 10.0918 10.9571 8.63072 13.5923 5.75667 numMergedOcc 0
188 mol 279 unq 0 iso 0 dist 8.29305 6.67478 6.43341 6.5644 5.8304 9.40912 8.70069 7.37478 4.14939 11.3734 numMergedOcc 0
189 mol 279 unq 0 iso 1 dist 8.29305 6.67478 6.43341 8.70069 7.37478 4.14939 6.5644 5.8304 9.40912 11.3734 numMergedOcc 0
190 mol 279 unq 0 iso 2 dist 6.43341 6.67478 8.29305 9.40912 5.8304 6.5644 4.14939 7.37478 8.70069 11.3734 numMergedOcc 0
191 mol 279 unq 0 iso 3 dist 6.43341 6.67478 8.29305 4.14939 7.37478 8.70069 9.40912 5.8304 6.5644 11.3734 numMergedOcc 0
