0 mol 26 unq 0 iso 0 dist 5.69955 9.87119 7.61055 8.25132 6.73167 10.267 4.94205 7.40948 6.77624 10.1642 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 5.69955 9.87119 7.61055 4.94205 7.40948 6.77624 8.25132 6.73167 10.267 10.1642 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.6385 4.74747 7.61055 7.73394 6.73167 10.267 7.42064 7.40948 6.77624 10.1642 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 8.6385 4.74747 7.61055 7.42064 7.40948 6.77624 7.73394 6.73167 10.267 10.1642 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 9.81831 8.58164 7.85041 16.1023 7.8435 12.1673 13.1721 5.99269 7.30779 5.21654 numMergedOcc 0
5 mol 93 unq 0 iso 1 dist 9.81831 8.58164 7.85041 13.1721 5.99269 7.30779 16.1023 7.8435 12.1673 5.21654 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 9.81831 8.58164 7.85041 16.1023 7.8435 12.1673 9.34182 5.71763 9.18194 13.3531 numMergedOcc 0
7 mol 93 unq 1 iso 1 dist 9.81831 8.58164 7.85041 9.34182 5.71763 9.18194 16.1023 7.8435 12.1673 13.3531 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.81831 8.58164 7.85041 13.1721 5.99269 7.30779 9.34182 5.71763 9.18194 10.7398 numMergedOcc 0
9 mol 93 unq 1 iso 1 dist 9.81831 8.58164 7.85041 9.34182 5.71763 9.18194 13.1721 5.99269 7.30779 10.7398 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 9.12858 9.67788 7.85041 12.4934 7.8435 12.1673 11.0537 5.99269 7.30779 5.21654 numMergedOcc 0
11 mol 93 unq 2 iso 1 dist 9.12858 9.67788 7.85041 11.0537 5.99269 7.30779 12.4934 7.8435 12.1673 5.21654 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 9.12858 9.67788 7.85041 12.4934 7.8435 12.1673 12.0103 5.71763 9.18194 13.3531 numMergedOcc 0
13 mol 93 unq 3 iso 1 dist 9.12858 9.67788 7.85041 12.0103 5.71763 9.18194 12.4934 7.8435 12.1673 13.3531 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 9.12858 9.67788 7.85041 11.0537 5.99269 7.30779 12.0103 5.71763 9.18194 10.7398 numMergedOcc 0
15 mol 93 unq 3 iso 1 dist 9.12858 9.67788 7.85041 12.0103 5.71763 9.18194 11.0537 5.99269 7.30779 10.7398 numMergedOcc 0
16 mol 93 unq 4 iso 0 dist 9.4523 5.33106 7.85041 10.8106 7.8435 12.1673 7.14217 5.99269 7.30779 5.21654 numMergedOcc 0
17 mol 93 unq 4 iso 1 dist 9.4523 5.33106 7.85041 7.14217 5.99269 7.30779 10.8106 7.8435 12.1673 5.21654 numMergedOcc 0
18 mol 93 unq 5 iso 0 dist 9.4523 5.33106 7.85041 10.8106 7.8435 12.1673 12.9351 5.71763 9.18194 13.3531 numMergedOcc 0
19 mol 93 unq 5 iso 1 dist 9.4523 5.33106 7.85041 12.9351 5.71763 9.18194 10.8106 7.8435 12.1673 13.3531 numMergedOcc 0
20 mol 93 unq 5 iso 0 dist 9.4523 5.33106 7.85041 7.14217 5.99269 7.30779 12.9351 5.71763 9.18194 10.7398 numMergedOcc 0
21 mol 93 unq 5 iso 1 dist 9.4523 5.33106 7.85041 12.9351 5.71763 9.18194 7.14217 5.99269 7.30779 10.7398 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 6.43433 6.72991 7.82011 10.5563 5.43933 8.36589 6.95317 4.99604 4.89178 6.86881 numMergedOcc 0
23 mol 112 unq 0 iso 1 dist 6.43433 6.72991 7.82011 6.95317 4.99604 4.89178 10.5563 5.43933 8.36589 6.86881 numMergedOcc 0
24 mol 112 unq 1 iso 0 dist 6.43433 6.72991 7.82011 10.5563 5.43933 8.36589 13.5094 9.97483 10.119 5.20124 numMergedOcc 0
25 mol 112 unq 1 iso 1 dist 6.43433 6.72991 7.82011 13.5094 9.97483 10.119 10.5563 5.43933 8.36589 5.20124 numMergedOcc 0
26 mol 112 unq 2 iso 0 dist 6.43433 6.72991 7.82011 10.5563 5.43933 8.36589 6.75738 7.44041 9.69404 9.41803 numMergedOcc 0
27 mol 112 unq 2 iso 1 dist 6.43433 6.72991 7.82011 6.75738 7.44041 9.69404 10.5563 5.43933 8.36589 9.41803 numMergedOcc 0
28 mol 112 unq 1 iso 0 dist 6.43433 6.72991 7.82011 6.95317 4.99604 4.89178 13.5094 9.97483 10.119 10.8861 numMergedOcc 0
29 mol 112 unq 1 iso 1 dist 6.43433 6.72991 7.82011 13.5094 9.97483 10.119 6.95317 4.99604 4.89178 10.8861 numMergedOcc 0
30 mol 112 unq 2 iso 0 dist 6.43433 6.72991 7.82011 6.95317 4.99604 4.89178 6.75738 7.44041 9.69404 10.5905 numMergedOcc 0
31 mol 112 unq 2 iso 1 dist 6.43433 6.72991 7.82011 6.75738 7.44041 9.69404 6.95317 4.99604 4.89178 10.5905 numMergedOcc 0
32 mol 112 unq 2 iso 0 dist 6.43433 6.72991 7.82011 13.5094 9.97483 10.119 6.75738 7.44041 9.69404 10.596 numMergedOcc 0
33 mol 112 unq 2 iso 1 dist 6.43433 6.72991 7.82011 6.75738 7.44041 9.69404 13.5094 9.97483 10.119 10.596 numMergedOcc 0
34 mol 112 unq 3 iso 0 dist 9.92283 8.57646 7.82011 12.6108 5.43933 8.36589 10.9279 4.99604 4.89178 6.86881 numMergedOcc 0
35 mol 112 unq 3 iso 1 dist 9.92283 8.57646 7.82011 10.9279 4.99604 4.89178 12.6108 5.43933 8.36589 6.86881 numMergedOcc 0
36 mol 112 unq 4 iso 0 dist 9.92283 8.57646 7.82011 12.6108 5.43933 8.36589 13.764 9.97483 10.119 5.20124 numMergedOcc 0
37 mol 112 unq 4 iso 1 dist 9.92283 8.57646 7.82011 13.764 9.97483 10.119 12.6108 5.43933 8.36589 5.20124 numMergedOcc 0
38 mol 112 unq 5 iso 0 dist 9.92283 8.57646 7.82011 12.6108 5.43933 8.36589 5.43385 7.44041 9.69404 9.41803 numMergedOcc 0
39 mol 112 unq 5 iso 1 dist 9.92283 8.57646 7.82011 5.43385 7.44041 9.69404 12.6108 5.43933 8.36589 9.41803 numMergedOcc 0
40 mol 112 unq 4 iso 0 dist 9.92283 8.57646 7.82011 10.9279 4.99604 4.89178 13.764 9.97483 10.119 10.8861 numMergedOcc 0
41 mol 112 unq 4 iso 1 dist 9.92283 8.57646 7.82011 13.764 9.97483 10.119 10.9279 4.99604 4.89178 10.8861 numMergedOcc 0
42 mol 112 unq 5 iso 0 dist 9.92283 8.57646 7.82011 10.9279 4.99604 4.89178 5.43385 7.44041 9.69404 10.5905 numMergedOcc 0
43 mol 112 unq 5 iso 1 dist 9.92283 8.57646 7.82011 5.43385 7.44041 9.69404 10.9279 4.99604 4.89178 10.5905 numMergedOcc 0
44 mol 112 unq 5 iso 0 dist 9.92283 8.57646 7.82011 13.764 9.97483 10.119 5.43385 7.44041 9.69404 10.596 numMergedOcc 0
45 mol 112 unq 5 iso 1 dist 9.92283 8.57646 7.82011 5.43385 7.44041 9.69404 13.764 9.97483 10.119 10.596 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 9.83476 13.1933 7.94153 13.6744 7.04815 5.93479 15.0914 6.07389 5.86306 6.05141 numMergedOcc 0
47 mol 186 unq 0 iso 1 dist 9.83476 13.1933 7.94153 15.0914 6.07389 5.86306 13.6744 7.04815 5.93479 6.05141 numMergedOcc 0
48 mol 194 unq 0 iso 0 dist 6.26839 15.9311 9.77862 10.0756 5.53324 8.31541 11.8031 6.72182 6.72001 9.10229 numMergedOcc 0
49 mol 194 unq 0 iso 1 dist 6.26839 15.9311 9.77862 11.8031 6.72182 6.72001 10.0756 5.53324 8.31541 9.10229 numMergedOcc 0
50 mol 194 unq 1 iso 0 dist 8.12346 13.7758 9.77862 10.2793 5.53324 8.31541 9.09233 6.72182 6.72001 9.10229 numMergedOcc 0
51 mol 194 unq 1 iso 1 dist 8.12346 13.7758 9.77862 9.09233 6.72182 6.72001 10.2793 5.53324 8.31541 9.10229 numMergedOcc 0
52 mol 194 unq 2 iso 0 dist 8.83356 5.38925 9.77862 10.463 5.53324 8.31541 4.66791 6.72182 6.72001 9.10229 numMergedOcc 0
53 mol 194 unq 2 iso 1 dist 8.83356 5.38925 9.77862 4.66791 6.72182 6.72001 10.463 5.53324 8.31541 9.10229 numMergedOcc 0
54 mol 194 unq 3 iso 0 dist 8.2654 14.2415 9.77862 12.8494 5.53324 8.31541 7.73551 6.72182 6.72001 9.10229 numMergedOcc 0
55 mol 194 unq 3 iso 1 dist 8.2654 14.2415 9.77862 7.73551 6.72182 6.72001 12.8494 5.53324 8.31541 9.10229 numMergedOcc 0
56 mol 195 unq 0 iso 0 dist 6.60567 13.6975 9.79691 5.41635 6.34234 10.5776 11.9954 7.87972 4.18074 10.558 numMergedOcc 0
57 mol 195 unq 0 iso 1 dist 6.60567 13.6975 9.79691 11.9954 7.87972 4.18074 5.41635 6.34234 10.5776 10.558 numMergedOcc 0
58 mol 195 unq 1 iso 0 dist 7.62942 6.08211 9.79691 6.04871 6.34234 10.5776 8.04534 7.87972 4.18074 10.558 numMergedOcc 0
59 mol 195 unq 1 iso 1 dist 7.62942 6.08211 9.79691 8.04534 7.87972 4.18074 6.04871 6.34234 10.5776 10.558 numMergedOcc 0
60 mol 198 unq 0 iso 0 dist 9.18635 5.72073 8.15936 5.33039 8.8864 4.12366 10.1469 8.12201 8.27289 5.85034 numMergedOcc 0
61 mol 198 unq 0 iso 1 dist 9.18635 5.72073 8.15936 10.1469 8.12201 8.27289 5.33039 8.8864 4.12366 5.85034 numMergedOcc 0
62 mol 198 unq 1 iso 0 dist 9.18635 5.72073 8.15936 5.33039 8.8864 4.12366 5.76471 5.45162 7.09645 5.38093 numMergedOcc 0
63 mol 198 unq 1 iso 1 dist 9.18635 5.72073 8.15936 5.76471 5.45162 7.09645 5.33039 8.8864 4.12366 5.38093 numMergedOcc 0
64 mol 198 unq 1 iso 0 dist 9.18635 5.72073 8.15936 10.1469 8.12201 8.27289 5.76471 5.45162 7.09645 6.06126 numMergedOcc 0
65 mol 198 unq 1 iso 1 dist 9.18635 5.72073 8.15936 5.76471 5.45162 7.09645 10.1469 8.12201 8.27289 6.06126 numMergedOcc 0
66 mol 198 unq 2 iso 0 dist 9.18635 9.94078 8.16598 5.33039 8.8864 5.7714 10.1469 8.12201 5.50315 5.85034 numMergedOcc 0
67 mol 198 unq 2 iso 1 dist 9.18635 9.94078 8.16598 10.1469 8.12201 5.50315 5.33039 8.8864 5.7714 5.85034 numMergedOcc 0
68 mol 198 unq 3 iso 0 dist 9.18635 9.94078 8.16598 5.33039 8.8864 5.7714 5.76471 5.45162 8.18633 5.38093 numMergedOcc 0
69 mol 198 unq 3 iso 1 dist 9.18635 9.94078 8.16598 5.76471 5.45162 8.18633 5.33039 8.8864 5.7714 5.38093 numMergedOcc 0
70 mol 198 unq 3 iso 0 dist 9.18635 9.94078 8.16598 10.1469 8.12201 5.50315 5.76471 5.45162 8.18633 6.06126 numMergedOcc 0
71 mol 198 unq 3 iso 1 dist 9.18635 9.94078 8.16598 5.76471 5.45162 8.18633 10.1469 8.12201 5.50315 6.06126 numMergedOcc 0
72 mol 198 unq 4 iso 0 dist 8.10985 12.2117 8.15936 9.76488 8.8864 4.12366 6.0599 8.12201 8.27289 5.85034 numMergedOcc 0
73 mol 198 unq 4 iso 1 dist 8.10985 12.2117 8.15936 6.0599 8.12201 8.27289 9.76488 8.8864 4.12366 5.85034 numMergedOcc 0
74 mol 198 unq 5 iso 0 dist 8.10985 12.2117 8.15936 9.76488 8.8864 4.12366 6.05382 5.45162 7.09645 5.38093 numMergedOcc 0
75 mol 198 unq 5 iso 1 dist 8.10985 12.2117 8.15936 6.05382 5.45162 7.09645 9.76488 8.8864 4.12366 5.38093 numMergedOcc 0
76 mol 198 unq 5 iso 0 dist 8.10985 12.2117 8.15936 6.0599 8.12201 8.27289 6.05382 5.45162 7.09645 6.06126 numMergedOcc 0
77 mol 198 unq 5 iso 1 dist 8.10985 12.2117 8.15936 6.05382 5.45162 7.09645 6.0599 8.12201 8.27289 6.06126 numMergedOcc 0
78 mol 198 unq 6 iso 0 dist 8.10985 10.8191 8.16598 9.76488 8.8864 5.7714 6.0599 8.12201 5.50315 5.85034 numMergedOcc 0
79 mol 198 unq 6 iso 1 dist 8.10985 10.8191 8.16598 6.0599 8.12201 5.50315 9.76488 8.8864 5.7714 5.85034 numMergedOcc 0
80 mol 198 unq 7 iso 0 dist 8.10985 10.8191 8.16598 9.76488 8.8864 5.7714 6.05382 5.45162 8.18633 5.38093 numMergedOcc 0
81 mol 198 unq 7 iso 1 dist 8.10985 10.8191 8.16598 6.05382 5.45162 8.18633 9.76488 8.8864 5.7714 5.38093 numMergedOcc 0
82 mol 198 unq 7 iso 0 dist 8.10985 10.8191 8.16598 6.0599 8.12201 5.50315 6.05382 5.45162 8.18633 6.06126 numMergedOcc 0
83 mol 198 unq 7 iso 1 dist 8.10985 10.8191 8.16598 6.05382 5.45162 8.18633 6.0599 8.12201 5.50315 6.06126 numMergedOcc 0
84 mol 225 unq 0 iso 0 dist 8.87609 5.06326 7.29542 17.3148 9.87668 13.317 13.3773 8.42121 10.43 8.05944 numMergedOcc 0
85 mol 225 unq 0 iso 1 dist 8.87609 5.06326 7.29542 13.3773 8.42121 10.43 17.3148 9.87668 13.317 8.05944 numMergedOcc 0
86 mol 225 unq 1 iso 0 dist 8.87609 5.06326 7.29542 17.3148 9.87668 13.317 3.97158 7.8744 6.24324 16.7885 numMergedOcc 0
87 mol 225 unq 1 iso 1 dist 8.87609 5.06326 7.29542 3.97158 7.8744 6.24324 17.3148 9.87668 13.317 16.7885 numMergedOcc 0
88 mol 225 unq 2 iso 0 dist 8.87609 5.06326 7.29542 17.3148 9.87668 13.317 9.9875 4.98402 10.7885 13.7858 numMergedOcc 0
89 mol 225 unq 2 iso 1 dist 8.87609 5.06326 7.29542 9.9875 4.98402 10.7885 17.3148 9.87668 13.317 13.7858 numMergedOcc 0
90 mol 225 unq 1 iso 0 dist 8.87609 5.06326 7.29542 13.3773 8.42121 10.43 3.97158 7.8744 6.24324 14.5755 numMergedOcc 0
91 mol 225 unq 1 iso 1 dist 8.87609 5.06326 7.29542 3.97158 7.8744 6.24324 13.3773 8.42121 10.43 14.5755 numMergedOcc 0
92 mol 225 unq 2 iso 0 dist 8.87609 5.06326 7.29542 13.3773 8.42121 10.43 9.9875 4.98402 10.7885 11.2712 numMergedOcc 0
93 mol 225 unq 2 iso 1 dist 8.87609 5.06326 7.29542 9.9875 4.98402 10.7885 13.3773 8.42121 10.43 11.2712 numMergedOcc 0
94 mol 225 unq 2 iso 0 dist 8.87609 5.06326 7.29542 3.97158 7.8744 6.24324 9.9875 4.98402 10.7885 8.90802 numMergedOcc 0
95 mol 225 unq 2 iso 1 dist 8.87609 5.06326 7.29542 9.9875 4.98402 10.7885 3.97158 7.8744 6.24324 8.90802 numMergedOcc 0
96 mol 252 unq 0 iso 0 dist 8.47784 4.23801 5.2361 6.62402 8.19529 4.21466 10.2463 6.45396 6.19861 5.1765 numMergedOcc 0
97 mol 252 unq 0 iso 1 dist 8.47784 4.23801 5.2361 10.2463 6.45396 6.19861 6.62402 8.19529 4.21466 5.1765 numMergedOcc 0
98 mol 252 unq 1 iso 0 dist 8.47784 13.6996 5.57515 6.62402 8.19529 11.9287 10.2463 6.45396 7.84988 5.1765 numMergedOcc 0
99 mol 252 unq 1 iso 1 dist 8.47784 13.6996 5.57515 10.2463 6.45396 7.84988 6.62402 8.19529 11.9287 5.1765 numMergedOcc 0
100 mol 252 unq 2 iso 0 dist 8.47784 15.4395 8.28694 6.62402 8.19529 11.5083 10.2463 6.45396 6.38319 5.1765 numMergedOcc 0
101 mol 252 unq 2 iso 1 dist 8.47784 15.4395 8.28694 10.2463 6.45396 6.38319 6.62402 8.19529 11.5083 5.1765 numMergedOcc 0
102 mol 252 unq 3 iso 0 dist 8.66469 9.12442 5.2361 8.71281 8.19529 4.21466 4.54582 6.45396 6.19861 5.1765 numMergedOcc 0
103 mol 252 unq 3 iso 1 dist 8.66469 9.12442 5.2361 4.54582 6.45396 6.19861 8.71281 8.19529 4.21466 5.1765 numMergedOcc 0
104 mol 252 unq 4 iso 0 dist 8.66469 7.35945 5.57515 8.71281 8.19529 11.9287 4.54582 6.45396 7.84988 5.1765 numMergedOcc 0
105 mol 252 unq 4 iso 1 dist 8.66469 7.35945 5.57515 4.54582 6.45396 7.84988 8.71281 8.19529 11.9287 5.1765 numMergedOcc 0
106 mol 252 unq 5 iso 0 dist 8.66469 5.26003 8.28694 8.71281 8.19529 11.5083 4.54582 6.45396 6.38319 5.1765 numMergedOcc 0
107 mol 252 unq 5 iso 1 dist 8.66469 5.26003 8.28694 4.54582 6.45396 6.38319 8.71281 8.19529 11.5083 5.1765 numMergedOcc 0
108 mol 279 unq 0 iso 0 dist 8.29305 5.3373 8.23056 6.5644 5.8304 6.25207 8.70069 7.37478 10.8722 11.3734 numMergedOcc 0
109 mol 279 unq 0 iso 1 dist 8.29305 5.3373 8.23056 8.70069 7.37478 10.8722 6.5644 5.8304 6.25207 11.3734 numMergedOcc 0
110 mol 279 unq 1 iso 0 dist 6.43341 7.18967 8.23056 9.40912 5.8304 6.25207 4.14939 7.37478 10.8722 11.3734 numMergedOcc 0
111 mol 279 unq 1 iso 1 dist 6.43341 7.18967 8.23056 4.14939 7.37478 10.8722 9.40912 5.8304 6.25207 11.3734 numMergedOcc 0
