0 mol 13 unq 0 iso 0 dist 5.04036 5.6314 5.78148 4.17261 6.26071 5.94592 6.39939 7.98679 4.56335 8.87621 numMergedOcc 0
1 mol 13 unq 0 iso 1 dist 5.04036 4.17261 6.26071 5.6314 5.78148 5.94592 6.39939 7.98679 8.87621 4.56335 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 5.04036 5.6314 5.78148 6.68749 8.43325 10.8906 6.39939 7.98679 4.56335 12.9999 numMergedOcc 0
3 mol 13 unq 1 iso 1 dist 5.04036 6.68749 8.43325 5.6314 5.78148 10.8906 6.39939 7.98679 12.9999 4.56335 numMergedOcc 0
4 mol 13 unq 1 iso 0 dist 5.04036 4.17261 6.26071 6.68749 8.43325 5.43688 6.39939 7.98679 8.87621 12.9999 numMergedOcc 0
5 mol 13 unq 1 iso 1 dist 5.04036 6.68749 8.43325 4.17261 6.26071 5.43688 6.39939 7.98679 12.9999 8.87621 numMergedOcc 0
6 mol 13 unq 2 iso 0 dist 9.44958 11.3605 5.78148 13.8587 6.26071 5.94592 14.2898 7.98679 4.56335 8.87621 numMergedOcc 0
7 mol 13 unq 2 iso 1 dist 9.44958 13.8587 6.26071 11.3605 5.78148 5.94592 14.2898 7.98679 8.87621 4.56335 numMergedOcc 0
8 mol 13 unq 3 iso 0 dist 9.44958 11.3605 5.78148 16.4369 8.43325 10.8906 14.2898 7.98679 4.56335 12.9999 numMergedOcc 0
9 mol 13 unq 3 iso 1 dist 9.44958 16.4369 8.43325 11.3605 5.78148 10.8906 14.2898 7.98679 12.9999 4.56335 numMergedOcc 0
10 mol 13 unq 3 iso 0 dist 9.44958 13.8587 6.26071 16.4369 8.43325 5.43688 14.2898 7.98679 8.87621 12.9999 numMergedOcc 0
11 mol 13 unq 3 iso 1 dist 9.44958 16.4369 8.43325 13.8587 6.26071 5.43688 14.2898 7.98679 12.9999 8.87621 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 5.80023 9.24958 12.3067 12.1061 4.90592 5.11617 13.2229 numMergedOcc 0
13 mol 24 unq 0 iso 1 dist 8.70141 5.80023 9.24958 13.2653 4.93188 12.3067 12.1061 4.90592 13.2229 5.11617 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 8.70141 13.2653 4.93188 5.80023 9.24958 12.3067 6.81998 8.16324 10.8238 6.7828 numMergedOcc 0
15 mol 24 unq 1 iso 1 dist 8.70141 5.80023 9.24958 13.2653 4.93188 12.3067 6.81998 8.16324 6.7828 10.8238 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 15.232 9.12858 6.30447 15.595 7.62611 4.4022 8.96224 numMergedOcc 0
17 mol 93 unq 0 iso 1 dist 8.42713 15.232 9.12858 17.674 9.81831 6.30447 15.595 7.62611 8.96224 4.4022 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 12.5871 9.4523 9.91939 15.595 7.62611 4.4022 10.3849 numMergedOcc 0
19 mol 93 unq 1 iso 1 dist 8.42713 12.5871 9.4523 17.674 9.81831 9.91939 15.595 7.62611 10.3849 4.4022 numMergedOcc 0
20 mol 93 unq 1 iso 0 dist 8.42713 15.232 9.12858 12.5871 9.4523 7.66728 15.595 7.62611 8.96224 10.3849 numMergedOcc 0
21 mol 93 unq 1 iso 1 dist 8.42713 12.5871 9.4523 15.232 9.12858 7.66728 15.595 7.62611 10.3849 8.96224 numMergedOcc 0
22 mol 93 unq 2 iso 0 dist 8.21032 6.25741 9.81831 10.0172 9.12858 6.30447 4.38413 7.62611 4.4022 8.96224 numMergedOcc 0
23 mol 93 unq 2 iso 1 dist 8.21032 10.0172 9.12858 6.25741 9.81831 6.30447 4.38413 7.62611 8.96224 4.4022 numMergedOcc 0
24 mol 93 unq 3 iso 0 dist 8.21032 6.25741 9.81831 13.6269 9.4523 9.91939 4.38413 7.62611 4.4022 10.3849 numMergedOcc 0
25 mol 93 unq 3 iso 1 dist 8.21032 13.6269 9.4523 6.25741 9.81831 9.91939 4.38413 7.62611 10.3849 4.4022 numMergedOcc 0
26 mol 93 unq 3 iso 0 dist 8.21032 10.0172 9.12858 13.6269 9.4523 7.66728 4.38413 7.62611 8.96224 10.3849 numMergedOcc 0
27 mol 93 unq 3 iso 1 dist 8.21032 13.6269 9.4523 10.0172 9.12858 7.66728 4.38413 7.62611 10.3849 8.96224 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 5.33314 11.1522 8.86329 11.4573 8.71039 5.55373 7.57827 8.92828 10.3369 7.92788 numMergedOcc 0
29 mol 131 unq 0 iso 1 dist 5.33314 11.4573 8.71039 11.1522 8.86329 5.55373 7.57827 8.92828 7.92788 10.3369 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 5.33314 11.1522 8.86329 11.4573 8.71039 5.55373 3.98821 5.56627 7.7567 8.23791 numMergedOcc 0
31 mol 131 unq 1 iso 1 dist 5.33314 11.4573 8.71039 11.1522 8.86329 5.55373 3.98821 5.56627 8.23791 7.7567 numMergedOcc 0
32 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 10.5583 6.28351 7.15222 10.7246 7.25644 11.1681 5.50251 numMergedOcc 0
33 mol 147 unq 0 iso 1 dist 6.4752 10.5583 6.28351 8.95179 5.49226 7.15222 10.7246 7.25644 5.50251 11.1681 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 9.36943 8.12346 8.0179 10.7677 5.68348 11.6598 12.0887 numMergedOcc 0
35 mol 194 unq 0 iso 1 dist 7.47107 9.36943 8.12346 10.2633 6.26839 8.0179 10.7677 5.68348 12.0887 11.6598 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 7.72655 8.83356 14.6506 10.7677 5.68348 11.6598 7.11753 numMergedOcc 0
37 mol 194 unq 1 iso 1 dist 7.47107 7.72655 8.83356 10.2633 6.26839 14.6506 10.7677 5.68348 7.11753 11.6598 numMergedOcc 0
38 mol 194 unq 2 iso 0 dist 7.47107 10.2633 6.26839 4.57265 8.2654 8.48054 10.7677 5.68348 11.6598 12.8755 numMergedOcc 0
39 mol 194 unq 2 iso 1 dist 7.47107 4.57265 8.2654 10.2633 6.26839 8.48054 10.7677 5.68348 12.8755 11.6598 numMergedOcc 0
40 mol 194 unq 1 iso 0 dist 7.47107 9.36943 8.12346 7.72655 8.83356 13.5632 10.7677 5.68348 12.0887 7.11753 numMergedOcc 0
41 mol 194 unq 1 iso 1 dist 7.47107 7.72655 8.83356 9.36943 8.12346 13.5632 10.7677 5.68348 7.11753 12.0887 numMergedOcc 0
42 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 4.57265 8.2654 6.26298 10.7677 5.68348 12.0887 12.8755 numMergedOcc 0
43 mol 194 unq 2 iso 1 dist 7.47107 4.57265 8.2654 9.36943 8.12346 6.26298 10.7677 5.68348 12.8755 12.0887 numMergedOcc 0
44 mol 194 unq 2 iso 0 dist 7.47107 7.72655 8.83356 4.57265 8.2654 11.6097 10.7677 5.68348 7.11753 12.8755 numMergedOcc 0
45 mol 194 unq 2 iso 1 dist 7.47107 4.57265 8.2654 7.72655 8.83356 11.6097 10.7677 5.68348 12.8755 7.11753 numMergedOcc 0
46 mol 218 unq 0 iso 0 dist 9.6309 9.24732 8.86175 10.8948 6.29511 4.72474 10.2441 9.32945 4.92618 7.84019 numMergedOcc 0
47 mol 218 unq 0 iso 1 dist 9.6309 10.8948 6.29511 9.24732 8.86175 4.72474 10.2441 9.32945 7.84019 4.92618 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 8.78354 11.5659 6.70815 11.716 7.99477 7.26417 4.17741 9.91199 10.8558 13.2927 numMergedOcc 0
49 mol 258 unq 0 iso 1 dist 8.78354 11.716 7.99477 11.5659 6.70815 7.26417 4.17741 9.91199 13.2927 10.8558 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 13.8765 6.14323 4.92077 14.7332 7.21655 6.26382 5.24812 numMergedOcc 0
51 mol 264 unq 0 iso 1 dist 8.28871 13.8765 6.14323 11.5671 6.04162 4.92077 14.7332 7.21655 5.24812 6.26382 numMergedOcc 0
52 mol 264 unq 1 iso 0 dist 7.94668 5.21164 6.04162 6.12009 6.14323 4.92077 10.3515 7.21655 6.26382 5.24812 numMergedOcc 0
53 mol 264 unq 1 iso 1 dist 7.94668 6.12009 6.14323 5.21164 6.04162 4.92077 10.3515 7.21655 5.24812 6.26382 numMergedOcc 0
54 mol 272 unq 0 iso 0 dist 8.36282 9.49608 9.64269 5.87695 6.88809 6.6954 10.2848 9.18635 10.2227 5.02308 numMergedOcc 0
55 mol 272 unq 0 iso 1 dist 8.36282 5.87695 6.88809 9.49608 9.64269 6.6954 10.2848 9.18635 5.02308 10.2227 numMergedOcc 0
56 mol 272 unq 1 iso 0 dist 8.36282 9.49608 9.64269 12.8166 8.46061 8.12676 10.2848 9.18635 10.2227 6.32008 numMergedOcc 0
57 mol 272 unq 1 iso 1 dist 8.36282 12.8166 8.46061 9.49608 9.64269 8.12676 10.2848 9.18635 6.32008 10.2227 numMergedOcc 0
58 mol 272 unq 1 iso 0 dist 8.36282 5.87695 6.88809 12.8166 8.46061 7.34222 10.2848 9.18635 5.02308 6.32008 numMergedOcc 0
59 mol 272 unq 1 iso 1 dist 8.36282 12.8166 8.46061 5.87695 6.88809 7.34222 10.2848 9.18635 6.32008 5.02308 numMergedOcc 0
60 mol 279 unq 0 iso 0 dist 5.63154 5.15837 8.29305 8.33297 6.43341 6.67478 11.7377 9.30921 9.37316 5.58929 numMergedOcc 0
61 mol 279 unq 0 iso 1 dist 5.63154 8.33297 6.43341 5.15837 8.29305 6.67478 11.7377 9.30921 5.58929 9.37316 numMergedOcc 0
