0 mol 1 unq 0 iso 0 dist 5.65716 4.36042 8.26708 11.1504 7.73435 10.5521 5.21705 7.27254 6.27888 11.6921 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 4.36042 8.26708 7.10269 5.71995 7.15595 5.21705 7.27254 6.27888 10.2632 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 5.65716 6.44928 6.09918 11.1504 7.73435 7.4817 5.21705 7.27254 4.50502 11.6921 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 5.65716 6.44928 6.09918 7.10269 5.71995 7.63941 5.21705 7.27254 4.50502 10.2632 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 6.49896 5.55437 11.0722 12.0088 7.05919 5.84314 8.17486 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 9.23241 13.8028 7.09169 5.78143 4.75776 8.19773 6.82319 6.2676 9.22034 5.04054 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.53468 14.2026 8.03303 12.2874 8.58543 8.92736 10.0936 7.69861 8.96557 5.24993 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.90954 9.27925 8.03303 7.81776 8.58543 8.92736 3.45332 7.69861 8.96557 5.24993 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 8.02579 5.51624 11.6865 3.91263 7.8435 16.1023 4.97727 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 8.02579 5.51624 11.6865 5.59024 5.99269 13.1721 5.77343 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 8.42713 17.674 9.81831 8.02579 5.51624 11.6865 12.9872 5.71763 9.34182 11.0802 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 8.42713 17.674 9.81831 12.3147 7.8674 12.2598 3.91263 7.8435 16.1023 13.8087 numMergedOcc 0
12 mol 93 unq 4 iso 0 dist 8.42713 17.674 9.81831 12.3147 7.8674 12.2598 5.59024 5.99269 13.1721 9.96831 numMergedOcc 0
13 mol 93 unq 5 iso 0 dist 8.42713 17.674 9.81831 12.3147 7.8674 12.2598 12.9872 5.71763 9.34182 5.33894 numMergedOcc 0
14 mol 93 unq 6 iso 0 dist 8.42713 15.232 9.12858 8.02579 5.51624 7.64463 3.91263 7.8435 12.4934 4.97727 numMergedOcc 0
15 mol 93 unq 7 iso 0 dist 8.42713 15.232 9.12858 8.02579 5.51624 7.64463 5.59024 5.99269 11.0537 5.77343 numMergedOcc 0
16 mol 93 unq 8 iso 0 dist 8.42713 15.232 9.12858 8.02579 5.51624 7.64463 12.9872 5.71763 12.0103 11.0802 numMergedOcc 0
17 mol 93 unq 9 iso 0 dist 8.42713 15.232 9.12858 12.3147 7.8674 14.8533 3.91263 7.8435 12.4934 13.8087 numMergedOcc 0
18 mol 93 unq 10 iso 0 dist 8.42713 15.232 9.12858 12.3147 7.8674 14.8533 5.59024 5.99269 11.0537 9.96831 numMergedOcc 0
19 mol 93 unq 11 iso 0 dist 8.42713 15.232 9.12858 12.3147 7.8674 14.8533 12.9872 5.71763 12.0103 5.33894 numMergedOcc 0
20 mol 93 unq 12 iso 0 dist 8.42713 12.5871 9.4523 8.02579 5.51624 8.29171 3.91263 7.8435 10.8106 4.97727 numMergedOcc 0
21 mol 93 unq 13 iso 0 dist 8.42713 12.5871 9.4523 8.02579 5.51624 8.29171 5.59024 5.99269 7.14217 5.77343 numMergedOcc 0
22 mol 93 unq 14 iso 0 dist 8.42713 12.5871 9.4523 8.02579 5.51624 8.29171 12.9872 5.71763 12.9351 11.0802 numMergedOcc 0
23 mol 93 unq 15 iso 0 dist 8.42713 12.5871 9.4523 12.3147 7.8674 12.7936 3.91263 7.8435 10.8106 13.8087 numMergedOcc 0
24 mol 93 unq 16 iso 0 dist 8.42713 12.5871 9.4523 12.3147 7.8674 12.7936 5.59024 5.99269 7.14217 9.96831 numMergedOcc 0
25 mol 93 unq 17 iso 0 dist 8.42713 12.5871 9.4523 12.3147 7.8674 12.7936 12.9872 5.71763 12.9351 5.33894 numMergedOcc 0
26 mol 93 unq 18 iso 0 dist 8.21032 6.25741 9.81831 12.1011 5.51624 11.6865 15.8131 7.8435 16.1023 4.97727 numMergedOcc 0
27 mol 93 unq 19 iso 0 dist 8.21032 6.25741 9.81831 12.1011 5.51624 11.6865 13.6266 5.99269 13.1721 5.77343 numMergedOcc 0
28 mol 93 unq 20 iso 0 dist 8.21032 6.25741 9.81831 12.1011 5.51624 11.6865 5.17052 5.71763 9.34182 11.0802 numMergedOcc 0
29 mol 93 unq 21 iso 0 dist 8.21032 6.25741 9.81831 9.97789 7.8674 12.2598 15.8131 7.8435 16.1023 13.8087 numMergedOcc 0
30 mol 93 unq 22 iso 0 dist 8.21032 6.25741 9.81831 9.97789 7.8674 12.2598 13.6266 5.99269 13.1721 9.96831 numMergedOcc 0
31 mol 93 unq 23 iso 0 dist 8.21032 6.25741 9.81831 9.97789 7.8674 12.2598 5.17052 5.71763 9.34182 5.33894 numMergedOcc 0
32 mol 93 unq 24 iso 0 dist 8.21032 10.0172 9.12858 12.1011 5.51624 7.64463 15.8131 7.8435 12.4934 4.97727 numMergedOcc 0
33 mol 93 unq 25 iso 0 dist 8.21032 10.0172 9.12858 12.1011 5.51624 7.64463 13.6266 5.99269 11.0537 5.77343 numMergedOcc 0
34 mol 93 unq 26 iso 0 dist 8.21032 10.0172 9.12858 12.1011 5.51624 7.64463 5.17052 5.71763 12.0103 11.0802 numMergedOcc 0
35 mol 93 unq 27 iso 0 dist 8.21032 10.0172 9.12858 9.97789 7.8674 14.8533 15.8131 7.8435 12.4934 13.8087 numMergedOcc 0
36 mol 93 unq 28 iso 0 dist 8.21032 10.0172 9.12858 9.97789 7.8674 14.8533 13.6266 5.99269 11.0537 9.96831 numMergedOcc 0
37 mol 93 unq 29 iso 0 dist 8.21032 10.0172 9.12858 9.97789 7.8674 14.8533 5.17052 5.71763 12.0103 5.33894 numMergedOcc 0
38 mol 93 unq 30 iso 0 dist 8.21032 13.6269 9.4523 12.1011 5.51624 8.29171 15.8131 7.8435 10.8106 4.97727 numMergedOcc 0
39 mol 93 unq 31 iso 0 dist 8.21032 13.6269 9.4523 12.1011 5.51624 8.29171 13.6266 5.99269 7.14217 5.77343 numMergedOcc 0
40 mol 93 unq 32 iso 0 dist 8.21032 13.6269 9.4523 12.1011 5.51624 8.29171 5.17052 5.71763 12.9351 11.0802 numMergedOcc 0
41 mol 93 unq 33 iso 0 dist 8.21032 13.6269 9.4523 9.97789 7.8674 12.7936 15.8131 7.8435 10.8106 13.8087 numMergedOcc 0
42 mol 93 unq 34 iso 0 dist 8.21032 13.6269 9.4523 9.97789 7.8674 12.7936 13.6266 5.99269 7.14217 9.96831 numMergedOcc 0
43 mol 93 unq 35 iso 0 dist 8.21032 13.6269 9.4523 9.97789 7.8674 12.7936 5.17052 5.71763 12.9351 5.33894 numMergedOcc 0
44 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 6.96543 9.23528 9.02993 11.5768 9.43989 12.068 17.3765 numMergedOcc 0
45 mol 147 unq 1 iso 0 dist 6.4752 10.5583 6.28351 6.96543 9.23528 14.4247 11.5768 9.43989 5.59468 17.3765 numMergedOcc 0
46 mol 171 unq 0 iso 0 dist 6.69054 5.58953 9.11712 9.6968 9.75627 8.26419 8.2542 8.999 4.00127 6.1593 numMergedOcc 0
47 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 11.4288 5.52678 6.66155 12.1522 5.53324 10.0756 5.28603 numMergedOcc 0
48 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 11.4288 5.52678 6.66155 5.18485 6.72182 11.8031 9.8803 numMergedOcc 0
49 mol 194 unq 2 iso 0 dist 7.47107 10.2633 6.26839 15.4624 9.81666 5.4499 12.1522 5.53324 10.0756 11.0713 numMergedOcc 0
50 mol 194 unq 3 iso 0 dist 7.47107 10.2633 6.26839 15.4624 9.81666 5.4499 5.18485 6.72182 11.8031 15.9964 numMergedOcc 0
51 mol 194 unq 4 iso 0 dist 7.47107 9.36943 8.12346 11.4288 5.52678 6.12973 12.1522 5.53324 10.2793 5.28603 numMergedOcc 0
52 mol 194 unq 5 iso 0 dist 7.47107 9.36943 8.12346 11.4288 5.52678 6.12973 5.18485 6.72182 9.09233 9.8803 numMergedOcc 0
53 mol 194 unq 6 iso 0 dist 7.47107 9.36943 8.12346 15.4624 9.81666 11.0239 12.1522 5.53324 10.2793 11.0713 numMergedOcc 0
54 mol 194 unq 7 iso 0 dist 7.47107 9.36943 8.12346 15.4624 9.81666 11.0239 5.18485 6.72182 9.09233 15.9964 numMergedOcc 0
55 mol 194 unq 8 iso 0 dist 7.47107 7.72655 8.83356 11.4288 5.52678 13.0333 12.1522 5.53324 10.463 5.28603 numMergedOcc 0
56 mol 194 unq 9 iso 0 dist 7.47107 7.72655 8.83356 11.4288 5.52678 13.0333 5.18485 6.72182 4.66791 9.8803 numMergedOcc 0
57 mol 194 unq 10 iso 0 dist 7.47107 7.72655 8.83356 15.4624 9.81666 18.6469 12.1522 5.53324 10.463 11.0713 numMergedOcc 0
58 mol 194 unq 11 iso 0 dist 7.47107 7.72655 8.83356 15.4624 9.81666 18.6469 5.18485 6.72182 4.66791 15.9964 numMergedOcc 0
59 mol 194 unq 12 iso 0 dist 7.47107 4.57265 8.2654 11.4288 5.52678 10.1796 12.1522 5.53324 12.8494 5.28603 numMergedOcc 0
60 mol 194 unq 13 iso 0 dist 7.47107 4.57265 8.2654 11.4288 5.52678 10.1796 5.18485 6.72182 7.73551 9.8803 numMergedOcc 0
61 mol 194 unq 14 iso 0 dist 7.47107 4.57265 8.2654 15.4624 9.81666 13.5457 12.1522 5.53324 12.8494 11.0713 numMergedOcc 0
62 mol 194 unq 15 iso 0 dist 7.47107 4.57265 8.2654 15.4624 9.81666 13.5457 5.18485 6.72182 7.73551 15.9964 numMergedOcc 0
63 mol 218 unq 0 iso 0 dist 9.6309 9.24732 8.86175 6.2347 9.06334 9.46742 5.64434 8.04838 3.8877 7.92114 numMergedOcc 0
64 mol 218 unq 1 iso 0 dist 9.6309 10.8948 6.29511 6.2347 9.06334 11.438 5.64434 8.04838 6.0516 7.92114 numMergedOcc 0
65 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 7.01029 6.53728 11.5135 11.1052 9.87668 17.3148 6.35462 numMergedOcc 0
66 mol 225 unq 1 iso 0 dist 8.28454 10.754 8.87609 7.01029 6.53728 11.5135 3.60045 8.42121 13.3773 5.94765 numMergedOcc 0
67 mol 225 unq 2 iso 0 dist 8.28454 10.754 8.87609 7.01029 6.53728 11.5135 12.7272 7.8744 3.97158 11.6976 numMergedOcc 0
68 mol 225 unq 3 iso 0 dist 8.28454 10.754 8.87609 7.01029 6.53728 11.5135 10.6169 4.98402 9.9875 11.2847 numMergedOcc 0
69 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 9.41039 9.56257 10.5813 10.4658 5.28771 4.1511 11.2819 numMergedOcc 0
70 mol 227 unq 1 iso 0 dist 8.12518 7.2593 5.4694 9.41039 9.56257 7.22396 10.4658 5.28771 4.69247 11.2819 numMergedOcc 0
71 mol 237 unq 0 iso 0 dist 9.74081 4.37008 7.42587 12.7987 9.84466 13.1083 6.94282 8.7414 6.01528 9.39277 numMergedOcc 0
72 mol 237 unq 1 iso 0 dist 9.74081 4.37008 7.42587 5.78318 6.16557 6.23145 6.94282 8.7414 6.01528 5.1975 numMergedOcc 0
73 mol 237 unq 2 iso 0 dist 9.74081 4.37008 7.42587 10.217 5.4813 7.11441 6.94282 8.7414 6.01528 5.69816 numMergedOcc 0
74 mol 251 unq 0 iso 0 dist 8.38382 8.64172 8.01198 5.12873 8.53757 6.6269 10.909 6.42747 4.86046 8.08775 numMergedOcc 0
75 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 5.7394 5.74568 6.84156 3.63202 7.14086 11.4167 7.36132 numMergedOcc 0
76 mol 264 unq 1 iso 0 dist 8.28871 13.8765 6.14323 5.7394 5.74568 9.37297 3.63202 7.14086 13.2035 7.36132 numMergedOcc 0
77 mol 264 unq 2 iso 0 dist 7.94668 5.21164 6.04162 6.63115 5.74568 6.84156 13.3131 7.14086 11.4167 7.36132 numMergedOcc 0
78 mol 264 unq 3 iso 0 dist 7.94668 6.12009 6.14323 6.63115 5.74568 9.37297 13.3131 7.14086 13.2035 7.36132 numMergedOcc 0
