0 mol 1 unq 0 iso 0 dist 5.65716 4.36042 8.26708 6.44928 6.09918 5.92202 5.21705 7.27254 6.27888 4.50502 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 5.65716 6.44928 6.09918 4.36042 8.26708 5.92202 5.21705 7.27254 4.50502 6.27888 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.73259 4.09495 5.69955 8.18809 8.6385 9.78225 5.23054 6.73167 8.25132 7.73394 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 6.73259 8.18809 8.6385 4.09495 5.69955 9.78225 5.23054 6.73167 7.73394 8.25132 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.73259 4.09495 5.69955 8.18809 8.6385 9.78225 6.65309 7.40948 4.94205 7.42064 numMergedOcc 0
5 mol 26 unq 1 iso 1 dist 6.73259 8.18809 8.6385 4.09495 5.69955 9.78225 6.65309 7.40948 7.42064 4.94205 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 8.60352 8.26353 5.69955 7.06347 8.6385 9.78225 12.0047 6.73167 8.25132 7.73394 numMergedOcc 0
7 mol 26 unq 2 iso 1 dist 8.60352 7.06347 8.6385 8.26353 5.69955 9.78225 12.0047 6.73167 7.73394 8.25132 numMergedOcc 0
8 mol 26 unq 3 iso 0 dist 8.60352 8.26353 5.69955 7.06347 8.6385 9.78225 3.7444 7.40948 4.94205 7.42064 numMergedOcc 0
9 mol 26 unq 3 iso 1 dist 8.60352 7.06347 8.6385 8.26353 5.69955 9.78225 3.7444 7.40948 7.42064 4.94205 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 15.232 9.12858 6.30447 3.91263 7.8435 16.1023 12.4934 numMergedOcc 0
11 mol 93 unq 0 iso 1 dist 8.42713 15.232 9.12858 17.674 9.81831 6.30447 3.91263 7.8435 12.4934 16.1023 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 15.232 9.12858 6.30447 5.59024 5.99269 13.1721 11.0537 numMergedOcc 0
13 mol 93 unq 1 iso 1 dist 8.42713 15.232 9.12858 17.674 9.81831 6.30447 5.59024 5.99269 11.0537 13.1721 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 8.42713 17.674 9.81831 15.232 9.12858 6.30447 12.9872 5.71763 9.34182 12.0103 numMergedOcc 0
15 mol 93 unq 2 iso 1 dist 8.42713 15.232 9.12858 17.674 9.81831 6.30447 12.9872 5.71763 12.0103 9.34182 numMergedOcc 0
16 mol 93 unq 3 iso 0 dist 8.42713 17.674 9.81831 12.5871 9.4523 9.91939 3.91263 7.8435 16.1023 10.8106 numMergedOcc 0
17 mol 93 unq 3 iso 1 dist 8.42713 12.5871 9.4523 17.674 9.81831 9.91939 3.91263 7.8435 10.8106 16.1023 numMergedOcc 0
18 mol 93 unq 4 iso 0 dist 8.42713 17.674 9.81831 12.5871 9.4523 9.91939 5.59024 5.99269 13.1721 7.14217 numMergedOcc 0
19 mol 93 unq 4 iso 1 dist 8.42713 12.5871 9.4523 17.674 9.81831 9.91939 5.59024 5.99269 7.14217 13.1721 numMergedOcc 0
20 mol 93 unq 5 iso 0 dist 8.42713 17.674 9.81831 12.5871 9.4523 9.91939 12.9872 5.71763 9.34182 12.9351 numMergedOcc 0
21 mol 93 unq 5 iso 1 dist 8.42713 12.5871 9.4523 17.674 9.81831 9.91939 12.9872 5.71763 12.9351 9.34182 numMergedOcc 0
22 mol 93 unq 3 iso 0 dist 8.42713 15.232 9.12858 12.5871 9.4523 7.66728 3.91263 7.8435 12.4934 10.8106 numMergedOcc 0
23 mol 93 unq 3 iso 1 dist 8.42713 12.5871 9.4523 15.232 9.12858 7.66728 3.91263 7.8435 10.8106 12.4934 numMergedOcc 0
24 mol 93 unq 4 iso 0 dist 8.42713 15.232 9.12858 12.5871 9.4523 7.66728 5.59024 5.99269 11.0537 7.14217 numMergedOcc 0
25 mol 93 unq 4 iso 1 dist 8.42713 12.5871 9.4523 15.232 9.12858 7.66728 5.59024 5.99269 7.14217 11.0537 numMergedOcc 0
26 mol 93 unq 5 iso 0 dist 8.42713 15.232 9.12858 12.5871 9.4523 7.66728 12.9872 5.71763 12.0103 12.9351 numMergedOcc 0
27 mol 93 unq 5 iso 1 dist 8.42713 12.5871 9.4523 15.232 9.12858 7.66728 12.9872 5.71763 12.9351 12.0103 numMergedOcc 0
28 mol 93 unq 6 iso 0 dist 8.21032 6.25741 9.81831 10.0172 9.12858 6.30447 15.8131 7.8435 16.1023 12.4934 numMergedOcc 0
29 mol 93 unq 6 iso 1 dist 8.21032 10.0172 9.12858 6.25741 9.81831 6.30447 15.8131 7.8435 12.4934 16.1023 numMergedOcc 0
30 mol 93 unq 7 iso 0 dist 8.21032 6.25741 9.81831 10.0172 9.12858 6.30447 13.6266 5.99269 13.1721 11.0537 numMergedOcc 0
31 mol 93 unq 7 iso 1 dist 8.21032 10.0172 9.12858 6.25741 9.81831 6.30447 13.6266 5.99269 11.0537 13.1721 numMergedOcc 0
32 mol 93 unq 8 iso 0 dist 8.21032 6.25741 9.81831 10.0172 9.12858 6.30447 5.17052 5.71763 9.34182 12.0103 numMergedOcc 0
33 mol 93 unq 8 iso 1 dist 8.21032 10.0172 9.12858 6.25741 9.81831 6.30447 5.17052 5.71763 12.0103 9.34182 numMergedOcc 0
34 mol 93 unq 9 iso 0 dist 8.21032 6.25741 9.81831 13.6269 9.4523 9.91939 15.8131 7.8435 16.1023 10.8106 numMergedOcc 0
35 mol 93 unq 9 iso 1 dist 8.21032 13.6269 9.4523 6.25741 9.81831 9.91939 15.8131 7.8435 10.8106 16.1023 numMergedOcc 0
36 mol 93 unq 10 iso 0 dist 8.21032 6.25741 9.81831 13.6269 9.4523 9.91939 13.6266 5.99269 13.1721 7.14217 numMergedOcc 0
37 mol 93 unq 10 iso 1 dist 8.21032 13.6269 9.4523 6.25741 9.81831 9.91939 13.6266 5.99269 7.14217 13.1721 numMergedOcc 0
38 mol 93 unq 11 iso 0 dist 8.21032 6.25741 9.81831 13.6269 9.4523 9.91939 5.17052 5.71763 9.34182 12.9351 numMergedOcc 0
39 mol 93 unq 11 iso 1 dist 8.21032 13.6269 9.4523 6.25741 9.81831 9.91939 5.17052 5.71763 12.9351 9.34182 numMergedOcc 0
40 mol 93 unq 9 iso 0 dist 8.21032 10.0172 9.12858 13.6269 9.4523 7.66728 15.8131 7.8435 12.4934 10.8106 numMergedOcc 0
41 mol 93 unq 9 iso 1 dist 8.21032 13.6269 9.4523 10.0172 9.12858 7.66728 15.8131 7.8435 10.8106 12.4934 numMergedOcc 0
42 mol 93 unq 10 iso 0 dist 8.21032 10.0172 9.12858 13.6269 9.4523 7.66728 13.6266 5.99269 11.0537 7.14217 numMergedOcc 0
43 mol 93 unq 10 iso 1 dist 8.21032 13.6269 9.4523 10.0172 9.12858 7.66728 13.6266 5.99269 7.14217 11.0537 numMergedOcc 0
44 mol 93 unq 11 iso 0 dist 8.21032 10.0172 9.12858 13.6269 9.4523 7.66728 5.17052 5.71763 12.0103 12.9351 numMergedOcc 0
45 mol 93 unq 11 iso 1 dist 8.21032 13.6269 9.4523 10.0172 9.12858 7.66728 5.17052 5.71763 12.9351 12.0103 numMergedOcc 0
46 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 10.5583 6.28351 7.15222 11.5768 9.43989 12.068 5.59468 numMergedOcc 0
47 mol 147 unq 0 iso 1 dist 6.4752 10.5583 6.28351 8.95179 5.49226 7.15222 11.5768 9.43989 5.59468 12.068 numMergedOcc 0
48 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 9.36943 8.12346 8.0179 12.1522 5.53324 10.0756 10.2793 numMergedOcc 0
49 mol 194 unq 0 iso 1 dist 7.47107 9.36943 8.12346 10.2633 6.26839 8.0179 12.1522 5.53324 10.2793 10.0756 numMergedOcc 0
50 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 9.36943 8.12346 8.0179 5.18485 6.72182 11.8031 9.09233 numMergedOcc 0
51 mol 194 unq 1 iso 1 dist 7.47107 9.36943 8.12346 10.2633 6.26839 8.0179 5.18485 6.72182 9.09233 11.8031 numMergedOcc 0
52 mol 194 unq 2 iso 0 dist 7.47107 10.2633 6.26839 7.72655 8.83356 14.6506 12.1522 5.53324 10.0756 10.463 numMergedOcc 0
53 mol 194 unq 2 iso 1 dist 7.47107 7.72655 8.83356 10.2633 6.26839 14.6506 12.1522 5.53324 10.463 10.0756 numMergedOcc 0
54 mol 194 unq 3 iso 0 dist 7.47107 10.2633 6.26839 7.72655 8.83356 14.6506 5.18485 6.72182 11.8031 4.66791 numMergedOcc 0
55 mol 194 unq 3 iso 1 dist 7.47107 7.72655 8.83356 10.2633 6.26839 14.6506 5.18485 6.72182 4.66791 11.8031 numMergedOcc 0
56 mol 194 unq 4 iso 0 dist 7.47107 10.2633 6.26839 4.57265 8.2654 8.48054 12.1522 5.53324 10.0756 12.8494 numMergedOcc 0
57 mol 194 unq 4 iso 1 dist 7.47107 4.57265 8.2654 10.2633 6.26839 8.48054 12.1522 5.53324 12.8494 10.0756 numMergedOcc 0
58 mol 194 unq 5 iso 0 dist 7.47107 10.2633 6.26839 4.57265 8.2654 8.48054 5.18485 6.72182 11.8031 7.73551 numMergedOcc 0
59 mol 194 unq 5 iso 1 dist 7.47107 4.57265 8.2654 10.2633 6.26839 8.48054 5.18485 6.72182 7.73551 11.8031 numMergedOcc 0
60 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 7.72655 8.83356 13.5632 12.1522 5.53324 10.2793 10.463 numMergedOcc 0
61 mol 194 unq 2 iso 1 dist 7.47107 7.72655 8.83356 9.36943 8.12346 13.5632 12.1522 5.53324 10.463 10.2793 numMergedOcc 0
62 mol 194 unq 3 iso 0 dist 7.47107 9.36943 8.12346 7.72655 8.83356 13.5632 5.18485 6.72182 9.09233 4.66791 numMergedOcc 0
63 mol 194 unq 3 iso 1 dist 7.47107 7.72655 8.83356 9.36943 8.12346 13.5632 5.18485 6.72182 4.66791 9.09233 numMergedOcc 0
64 mol 194 unq 4 iso 0 dist 7.47107 9.36943 8.12346 4.57265 8.2654 6.26298 12.1522 5.53324 10.2793 12.8494 numMergedOcc 0
65 mol 194 unq 4 iso 1 dist 7.47107 4.57265 8.2654 9.36943 8.12346 6.26298 12.1522 5.53324 12.8494 10.2793 numMergedOcc 0
66 mol 194 unq 5 iso 0 dist 7.47107 9.36943 8.12346 4.57265 8.2654 6.26298 5.18485 6.72182 9.09233 7.73551 numMergedOcc 0
67 mol 194 unq 5 iso 1 dist 7.47107 4.57265 8.2654 9.36943 8.12346 6.26298 5.18485 6.72182 7.73551 9.09233 numMergedOcc 0
68 mol 194 unq 4 iso 0 dist 7.47107 7.72655 8.83356 4.57265 8.2654 11.6097 12.1522 5.53324 10.463 12.8494 numMergedOcc 0
69 mol 194 unq 4 iso 1 dist 7.47107 4.57265 8.2654 7.72655 8.83356 11.6097 12.1522 5.53324 12.8494 10.463 numMergedOcc 0
70 mol 194 unq 5 iso 0 dist 7.47107 7.72655 8.83356 4.57265 8.2654 11.6097 5.18485 6.72182 4.66791 7.73551 numMergedOcc 0
71 mol 194 unq 5 iso 1 dist 7.47107 4.57265 8.2654 7.72655 8.83356 11.6097 5.18485 6.72182 7.73551 4.66791 numMergedOcc 0
72 mol 218 unq 0 iso 0 dist 9.6309 9.24732 8.86175 10.8948 6.29511 4.72474 5.64434 8.04838 3.8877 6.0516 numMergedOcc 0
73 mol 218 unq 0 iso 1 dist 9.6309 10.8948 6.29511 9.24732 8.86175 4.72474 5.64434 8.04838 6.0516 3.8877 numMergedOcc 0
74 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 7.2593 5.4694 5.22356 10.4658 5.28771 4.1511 4.69247 numMergedOcc 0
75 mol 227 unq 0 iso 1 dist 8.12518 7.2593 5.4694 12.3465 8.38865 5.22356 10.4658 5.28771 4.69247 4.1511 numMergedOcc 0
76 mol 252 unq 0 iso 0 dist 9.81593 8.32163 8.47784 10.6815 8.66469 13.2361 9.75376 8.19529 6.62402 8.71281 numMergedOcc 0
77 mol 252 unq 0 iso 1 dist 9.81593 10.6815 8.66469 8.32163 8.47784 13.2361 9.75376 8.19529 8.71281 6.62402 numMergedOcc 0
78 mol 252 unq 1 iso 0 dist 9.81593 8.32163 8.47784 10.6815 8.66469 13.2361 10.8474 6.45396 10.2463 4.54582 numMergedOcc 0
79 mol 252 unq 1 iso 1 dist 9.81593 10.6815 8.66469 8.32163 8.47784 13.2361 10.8474 6.45396 4.54582 10.2463 numMergedOcc 0
80 mol 252 unq 2 iso 0 dist 9.78248 16.5062 8.47784 9.67333 8.66469 13.2361 12.4311 8.19529 6.62402 8.71281 numMergedOcc 0
81 mol 252 unq 2 iso 1 dist 9.78248 9.67333 8.66469 16.5062 8.47784 13.2361 12.4311 8.19529 8.71281 6.62402 numMergedOcc 0
82 mol 252 unq 3 iso 0 dist 9.78248 16.5062 8.47784 9.67333 8.66469 13.2361 8.1205 6.45396 10.2463 4.54582 numMergedOcc 0
83 mol 252 unq 3 iso 1 dist 9.78248 9.67333 8.66469 16.5062 8.47784 13.2361 8.1205 6.45396 4.54582 10.2463 numMergedOcc 0
84 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 13.8765 6.14323 4.92077 3.63202 7.14086 11.4167 13.2035 numMergedOcc 0
85 mol 264 unq 0 iso 1 dist 8.28871 13.8765 6.14323 11.5671 6.04162 4.92077 3.63202 7.14086 13.2035 11.4167 numMergedOcc 0
86 mol 264 unq 1 iso 0 dist 7.94668 5.21164 6.04162 6.12009 6.14323 4.92077 13.3131 7.14086 11.4167 13.2035 numMergedOcc 0
87 mol 264 unq 1 iso 1 dist 7.94668 6.12009 6.14323 5.21164 6.04162 4.92077 13.3131 7.14086 13.2035 11.4167 numMergedOcc 0
88 mol 279 unq 0 iso 0 dist 5.63154 5.15837 8.29305 8.33297 6.43341 6.67478 3.77031 5.8304 6.5644 9.40912 numMergedOcc 0
89 mol 279 unq 0 iso 1 dist 5.63154 8.33297 6.43341 5.15837 8.29305 6.67478 3.77031 5.8304 9.40912 6.5644 numMergedOcc 0
90 mol 279 unq 1 iso 0 dist 5.63154 5.15837 8.29305 8.33297 6.43341 6.67478 9.11782 7.37478 8.70069 4.14939 numMergedOcc 0
91 mol 279 unq 1 iso 1 dist 5.63154 8.33297 6.43341 5.15837 8.29305 6.67478 9.11782 7.37478 4.14939 8.70069 numMergedOcc 0
