0 mol 1 unq 0 iso 0 dist 5.65716 4.36042 8.26708 6.44928 6.09918 5.92202 11.1504 7.73435 10.5521 7.4817 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 5.65716 6.44928 6.09918 4.36042 8.26708 5.92202 11.1504 7.73435 7.4817 10.5521 numMergedOcc 0
2 mol 1 unq 1 iso 0 dist 5.65716 4.36042 8.26708 6.44928 6.09918 5.92202 7.10269 5.71995 7.15595 7.63941 numMergedOcc 0
3 mol 1 unq 1 iso 1 dist 5.65716 6.44928 6.09918 4.36042 8.26708 5.92202 7.10269 5.71995 7.63941 7.15595 numMergedOcc 0
4 mol 13 unq 0 iso 0 dist 5.04036 5.6314 5.78148 4.17261 6.26071 5.94592 10.6435 9.10587 10.9884 7.39275 numMergedOcc 0
5 mol 13 unq 0 iso 1 dist 5.04036 4.17261 6.26071 5.6314 5.78148 5.94592 10.6435 9.10587 7.39275 10.9884 numMergedOcc 0
6 mol 13 unq 1 iso 0 dist 5.04036 5.6314 5.78148 6.68749 8.43325 10.8906 10.6435 9.10587 10.9884 7.82977 numMergedOcc 0
7 mol 13 unq 1 iso 1 dist 5.04036 6.68749 8.43325 5.6314 5.78148 10.8906 10.6435 9.10587 7.82977 10.9884 numMergedOcc 0
8 mol 13 unq 1 iso 0 dist 5.04036 4.17261 6.26071 6.68749 8.43325 5.43688 10.6435 9.10587 7.39275 7.82977 numMergedOcc 0
9 mol 13 unq 1 iso 1 dist 5.04036 6.68749 8.43325 4.17261 6.26071 5.43688 10.6435 9.10587 7.82977 7.39275 numMergedOcc 0
10 mol 13 unq 2 iso 0 dist 9.44958 11.3605 5.78148 13.8587 6.26071 5.94592 12.1708 9.10587 10.9884 7.39275 numMergedOcc 0
11 mol 13 unq 2 iso 1 dist 9.44958 13.8587 6.26071 11.3605 5.78148 5.94592 12.1708 9.10587 7.39275 10.9884 numMergedOcc 0
12 mol 13 unq 3 iso 0 dist 9.44958 11.3605 5.78148 16.4369 8.43325 10.8906 12.1708 9.10587 10.9884 7.82977 numMergedOcc 0
13 mol 13 unq 3 iso 1 dist 9.44958 16.4369 8.43325 11.3605 5.78148 10.8906 12.1708 9.10587 7.82977 10.9884 numMergedOcc 0
14 mol 13 unq 3 iso 0 dist 9.44958 13.8587 6.26071 16.4369 8.43325 5.43688 12.1708 9.10587 7.39275 7.82977 numMergedOcc 0
15 mol 13 unq 3 iso 1 dist 9.44958 16.4369 8.43325 13.8587 6.26071 5.43688 12.1708 9.10587 7.82977 7.39275 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 5.80023 9.24958 12.3067 12.8473 9.40479 9.48345 13.1456 numMergedOcc 0
17 mol 24 unq 0 iso 1 dist 8.70141 5.80023 9.24958 13.2653 4.93188 12.3067 12.8473 9.40479 13.1456 9.48345 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 8.70141 13.2653 4.93188 5.80023 9.24958 12.3067 4.36056 9.58012 14.4162 10.0655 numMergedOcc 0
19 mol 24 unq 1 iso 1 dist 8.70141 5.80023 9.24958 13.2653 4.93188 12.3067 4.36056 9.58012 10.0655 14.4162 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 15.232 9.12858 6.30447 8.02579 5.51624 11.6865 7.64463 numMergedOcc 0
21 mol 93 unq 0 iso 1 dist 8.42713 15.232 9.12858 17.674 9.81831 6.30447 8.02579 5.51624 7.64463 11.6865 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 15.232 9.12858 6.30447 12.3147 7.8674 12.2598 14.8533 numMergedOcc 0
23 mol 93 unq 1 iso 1 dist 8.42713 15.232 9.12858 17.674 9.81831 6.30447 12.3147 7.8674 14.8533 12.2598 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 8.42713 17.674 9.81831 12.5871 9.4523 9.91939 8.02579 5.51624 11.6865 8.29171 numMergedOcc 0
25 mol 93 unq 2 iso 1 dist 8.42713 12.5871 9.4523 17.674 9.81831 9.91939 8.02579 5.51624 8.29171 11.6865 numMergedOcc 0
26 mol 93 unq 3 iso 0 dist 8.42713 17.674 9.81831 12.5871 9.4523 9.91939 12.3147 7.8674 12.2598 12.7936 numMergedOcc 0
27 mol 93 unq 3 iso 1 dist 8.42713 12.5871 9.4523 17.674 9.81831 9.91939 12.3147 7.8674 12.7936 12.2598 numMergedOcc 0
28 mol 93 unq 2 iso 0 dist 8.42713 15.232 9.12858 12.5871 9.4523 7.66728 8.02579 5.51624 7.64463 8.29171 numMergedOcc 0
29 mol 93 unq 2 iso 1 dist 8.42713 12.5871 9.4523 15.232 9.12858 7.66728 8.02579 5.51624 8.29171 7.64463 numMergedOcc 0
30 mol 93 unq 3 iso 0 dist 8.42713 15.232 9.12858 12.5871 9.4523 7.66728 12.3147 7.8674 14.8533 12.7936 numMergedOcc 0
31 mol 93 unq 3 iso 1 dist 8.42713 12.5871 9.4523 15.232 9.12858 7.66728 12.3147 7.8674 12.7936 14.8533 numMergedOcc 0
32 mol 93 unq 4 iso 0 dist 8.21032 6.25741 9.81831 10.0172 9.12858 6.30447 12.1011 5.51624 11.6865 7.64463 numMergedOcc 0
33 mol 93 unq 4 iso 1 dist 8.21032 10.0172 9.12858 6.25741 9.81831 6.30447 12.1011 5.51624 7.64463 11.6865 numMergedOcc 0
34 mol 93 unq 5 iso 0 dist 8.21032 6.25741 9.81831 10.0172 9.12858 6.30447 9.97789 7.8674 12.2598 14.8533 numMergedOcc 0
35 mol 93 unq 5 iso 1 dist 8.21032 10.0172 9.12858 6.25741 9.81831 6.30447 9.97789 7.8674 14.8533 12.2598 numMergedOcc 0
36 mol 93 unq 6 iso 0 dist 8.21032 6.25741 9.81831 13.6269 9.4523 9.91939 12.1011 5.51624 11.6865 8.29171 numMergedOcc 0
37 mol 93 unq 6 iso 1 dist 8.21032 13.6269 9.4523 6.25741 9.81831 9.91939 12.1011 5.51624 8.29171 11.6865 numMergedOcc 0
38 mol 93 unq 7 iso 0 dist 8.21032 6.25741 9.81831 13.6269 9.4523 9.91939 9.97789 7.8674 12.2598 12.7936 numMergedOcc 0
39 mol 93 unq 7 iso 1 dist 8.21032 13.6269 9.4523 6.25741 9.81831 9.91939 9.97789 7.8674 12.7936 12.2598 numMergedOcc 0
40 mol 93 unq 6 iso 0 dist 8.21032 10.0172 9.12858 13.6269 9.4523 7.66728 12.1011 5.51624 7.64463 8.29171 numMergedOcc 0
41 mol 93 unq 6 iso 1 dist 8.21032 13.6269 9.4523 10.0172 9.12858 7.66728 12.1011 5.51624 8.29171 7.64463 numMergedOcc 0
42 mol 93 unq 7 iso 0 dist 8.21032 10.0172 9.12858 13.6269 9.4523 7.66728 9.97789 7.8674 14.8533 12.7936 numMergedOcc 0
43 mol 93 unq 7 iso 1 dist 8.21032 13.6269 9.4523 10.0172 9.12858 7.66728 9.97789 7.8674 12.7936 14.8533 numMergedOcc 0
44 mol 112 unq 0 iso 0 dist 7.98999 6.68714 7.23962 10.8795 9.00067 7.03147 13.0525 9.74569 6.89221 5.52645 numMergedOcc 0
45 mol 112 unq 0 iso 1 dist 7.98999 10.8795 9.00067 6.68714 7.23962 7.03147 13.0525 9.74569 5.52645 6.89221 numMergedOcc 0
46 mol 112 unq 1 iso 0 dist 7.98999 6.68714 7.23962 13.2606 9.89499 11.4954 13.0525 9.74569 6.89221 9.88449 numMergedOcc 0
47 mol 112 unq 1 iso 1 dist 7.98999 13.2606 9.89499 6.68714 7.23962 11.4954 13.0525 9.74569 9.88449 6.89221 numMergedOcc 0
48 mol 112 unq 2 iso 0 dist 7.98999 6.68714 7.23962 6.71889 7.30204 7.05226 13.0525 9.74569 6.89221 9.96887 numMergedOcc 0
49 mol 112 unq 2 iso 1 dist 7.98999 6.71889 7.30204 6.68714 7.23962 7.05226 13.0525 9.74569 9.96887 6.89221 numMergedOcc 0
50 mol 112 unq 1 iso 0 dist 7.98999 10.8795 9.00067 13.2606 9.89499 5.54347 13.0525 9.74569 5.52645 9.88449 numMergedOcc 0
51 mol 112 unq 1 iso 1 dist 7.98999 13.2606 9.89499 10.8795 9.00067 5.54347 13.0525 9.74569 9.88449 5.52645 numMergedOcc 0
52 mol 112 unq 2 iso 0 dist 7.98999 10.8795 9.00067 6.71889 7.30204 5.56241 13.0525 9.74569 5.52645 9.96887 numMergedOcc 0
53 mol 112 unq 2 iso 1 dist 7.98999 6.71889 7.30204 10.8795 9.00067 5.56241 13.0525 9.74569 9.96887 5.52645 numMergedOcc 0
54 mol 112 unq 2 iso 0 dist 7.98999 13.2606 9.89499 6.71889 7.30204 6.77737 13.0525 9.74569 9.88449 9.96887 numMergedOcc 0
55 mol 112 unq 2 iso 1 dist 7.98999 6.71889 7.30204 13.2606 9.89499 6.77737 13.0525 9.74569 9.96887 9.88449 numMergedOcc 0
56 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 10.5583 6.28351 7.15222 6.96543 9.23528 9.02993 14.4247 numMergedOcc 0
57 mol 147 unq 0 iso 1 dist 6.4752 10.5583 6.28351 8.95179 5.49226 7.15222 6.96543 9.23528 14.4247 9.02993 numMergedOcc 0
58 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 9.36943 8.12346 8.0179 11.4288 5.52678 6.66155 6.12973 numMergedOcc 0
59 mol 194 unq 0 iso 1 dist 7.47107 9.36943 8.12346 10.2633 6.26839 8.0179 11.4288 5.52678 6.12973 6.66155 numMergedOcc 0
60 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 9.36943 8.12346 8.0179 15.4624 9.81666 5.4499 11.0239 numMergedOcc 0
61 mol 194 unq 1 iso 1 dist 7.47107 9.36943 8.12346 10.2633 6.26839 8.0179 15.4624 9.81666 11.0239 5.4499 numMergedOcc 0
62 mol 194 unq 2 iso 0 dist 7.47107 10.2633 6.26839 7.72655 8.83356 14.6506 11.4288 5.52678 6.66155 13.0333 numMergedOcc 0
63 mol 194 unq 2 iso 1 dist 7.47107 7.72655 8.83356 10.2633 6.26839 14.6506 11.4288 5.52678 13.0333 6.66155 numMergedOcc 0
64 mol 194 unq 3 iso 0 dist 7.47107 10.2633 6.26839 7.72655 8.83356 14.6506 15.4624 9.81666 5.4499 18.6469 numMergedOcc 0
65 mol 194 unq 3 iso 1 dist 7.47107 7.72655 8.83356 10.2633 6.26839 14.6506 15.4624 9.81666 18.6469 5.4499 numMergedOcc 0
66 mol 194 unq 4 iso 0 dist 7.47107 10.2633 6.26839 4.57265 8.2654 8.48054 11.4288 5.52678 6.66155 10.1796 numMergedOcc 0
67 mol 194 unq 4 iso 1 dist 7.47107 4.57265 8.2654 10.2633 6.26839 8.48054 11.4288 5.52678 10.1796 6.66155 numMergedOcc 0
68 mol 194 unq 5 iso 0 dist 7.47107 10.2633 6.26839 4.57265 8.2654 8.48054 15.4624 9.81666 5.4499 13.5457 numMergedOcc 0
69 mol 194 unq 5 iso 1 dist 7.47107 4.57265 8.2654 10.2633 6.26839 8.48054 15.4624 9.81666 13.5457 5.4499 numMergedOcc 0
70 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 7.72655 8.83356 13.5632 11.4288 5.52678 6.12973 13.0333 numMergedOcc 0
71 mol 194 unq 2 iso 1 dist 7.47107 7.72655 8.83356 9.36943 8.12346 13.5632 11.4288 5.52678 13.0333 6.12973 numMergedOcc 0
72 mol 194 unq 3 iso 0 dist 7.47107 9.36943 8.12346 7.72655 8.83356 13.5632 15.4624 9.81666 11.0239 18.6469 numMergedOcc 0
73 mol 194 unq 3 iso 1 dist 7.47107 7.72655 8.83356 9.36943 8.12346 13.5632 15.4624 9.81666 18.6469 11.0239 numMergedOcc 0
74 mol 194 unq 4 iso 0 dist 7.47107 9.36943 8.12346 4.57265 8.2654 6.26298 11.4288 5.52678 6.12973 10.1796 numMergedOcc 0
75 mol 194 unq 4 iso 1 dist 7.47107 4.57265 8.2654 9.36943 8.12346 6.26298 11.4288 5.52678 10.1796 6.12973 numMergedOcc 0
76 mol 194 unq 5 iso 0 dist 7.47107 9.36943 8.12346 4.57265 8.2654 6.26298 15.4624 9.81666 11.0239 13.5457 numMergedOcc 0
77 mol 194 unq 5 iso 1 dist 7.47107 4.57265 8.2654 9.36943 8.12346 6.26298 15.4624 9.81666 13.5457 11.0239 numMergedOcc 0
78 mol 194 unq 4 iso 0 dist 7.47107 7.72655 8.83356 4.57265 8.2654 11.6097 11.4288 5.52678 13.0333 10.1796 numMergedOcc 0
79 mol 194 unq 4 iso 1 dist 7.47107 4.57265 8.2654 7.72655 8.83356 11.6097 11.4288 5.52678 10.1796 13.0333 numMergedOcc 0
80 mol 194 unq 5 iso 0 dist 7.47107 7.72655 8.83356 4.57265 8.2654 11.6097 15.4624 9.81666 18.6469 13.5457 numMergedOcc 0
81 mol 194 unq 5 iso 1 dist 7.47107 4.57265 8.2654 7.72655 8.83356 11.6097 15.4624 9.81666 13.5457 18.6469 numMergedOcc 0
82 mol 218 unq 0 iso 0 dist 9.6309 9.24732 8.86175 10.8948 6.29511 4.72474 6.2347 9.06334 9.46742 11.438 numMergedOcc 0
83 mol 218 unq 0 iso 1 dist 9.6309 10.8948 6.29511 9.24732 8.86175 4.72474 6.2347 9.06334 11.438 9.46742 numMergedOcc 0
84 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 7.2593 5.4694 5.22356 9.41039 9.56257 10.5813 7.22396 numMergedOcc 0
85 mol 227 unq 0 iso 1 dist 8.12518 7.2593 5.4694 12.3465 8.38865 5.22356 9.41039 9.56257 7.22396 10.5813 numMergedOcc 0
86 mol 235 unq 0 iso 0 dist 9.77502 13.1002 6.39158 6.64857 7.75722 12.1984 14.9983 9.81305 5.72331 12.6437 numMergedOcc 0
87 mol 235 unq 0 iso 1 dist 9.77502 6.64857 7.75722 13.1002 6.39158 12.1984 14.9983 9.81305 12.6437 5.72331 numMergedOcc 0
88 mol 235 unq 1 iso 0 dist 9.77502 13.1002 6.39158 6.64857 7.75722 12.1984 9.81171 6.89118 8.33772 5.70265 numMergedOcc 0
89 mol 235 unq 1 iso 1 dist 9.77502 6.64857 7.75722 13.1002 6.39158 12.1984 9.81171 6.89118 5.70265 8.33772 numMergedOcc 0
90 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 13.1893 8.44909 4.28414 10.128 9.53915 10.6074 9.23135 numMergedOcc 0
91 mol 240 unq 0 iso 1 dist 8.44671 13.1893 8.44909 15.9853 9.47583 4.28414 10.128 9.53915 9.23135 10.6074 numMergedOcc 0
92 mol 258 unq 0 iso 0 dist 8.78354 11.5659 6.70815 11.716 7.99477 7.26417 6.73942 6.47194 6.6525 5.27959 numMergedOcc 0
93 mol 258 unq 0 iso 1 dist 8.78354 11.716 7.99477 11.5659 6.70815 7.26417 6.73942 6.47194 5.27959 6.6525 numMergedOcc 0
94 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 13.8765 6.14323 4.92077 5.7394 5.74568 6.84156 9.37297 numMergedOcc 0
95 mol 264 unq 0 iso 1 dist 8.28871 13.8765 6.14323 11.5671 6.04162 4.92077 5.7394 5.74568 9.37297 6.84156 numMergedOcc 0
96 mol 264 unq 1 iso 0 dist 7.94668 5.21164 6.04162 6.12009 6.14323 4.92077 6.63115 5.74568 6.84156 9.37297 numMergedOcc 0
97 mol 264 unq 1 iso 1 dist 7.94668 6.12009 6.14323 5.21164 6.04162 4.92077 6.63115 5.74568 9.37297 6.84156 numMergedOcc 0
