0 mol 13 unq 0 iso 0 dist 5.04036 5.6314 5.78148 11.1067 8.00865 13.1699 6.39939 7.98679 4.56335 15.907 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 5.04036 5.6314 5.78148 13.4623 9.11447 11.1987 6.39939 7.98679 4.56335 15.0129 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 5.04036 4.17261 6.26071 11.1067 8.00865 10.5634 6.39939 7.98679 8.87621 15.907 numMergedOcc 0
3 mol 13 unq 3 iso 0 dist 5.04036 4.17261 6.26071 13.4623 9.11447 12.0488 6.39939 7.98679 8.87621 15.0129 numMergedOcc 0
4 mol 13 unq 4 iso 0 dist 5.04036 6.68749 8.43325 11.1067 8.00865 8.66829 6.39939 7.98679 12.9999 15.907 numMergedOcc 0
5 mol 13 unq 5 iso 0 dist 5.04036 6.68749 8.43325 13.4623 9.11447 14.2112 6.39939 7.98679 12.9999 15.0129 numMergedOcc 0
6 mol 13 unq 6 iso 0 dist 9.44958 11.3605 5.78148 11.4587 8.00865 13.1699 14.2898 7.98679 4.56335 15.907 numMergedOcc 0
7 mol 13 unq 7 iso 0 dist 9.44958 11.3605 5.78148 4.14738 9.11447 11.1987 14.2898 7.98679 4.56335 15.0129 numMergedOcc 0
8 mol 13 unq 8 iso 0 dist 9.44958 13.8587 6.26071 11.4587 8.00865 10.5634 14.2898 7.98679 8.87621 15.907 numMergedOcc 0
9 mol 13 unq 9 iso 0 dist 9.44958 13.8587 6.26071 4.14738 9.11447 12.0488 14.2898 7.98679 8.87621 15.0129 numMergedOcc 0
10 mol 13 unq 10 iso 0 dist 9.44958 16.4369 8.43325 11.4587 8.00865 8.66829 14.2898 7.98679 12.9999 15.907 numMergedOcc 0
11 mol 13 unq 11 iso 0 dist 9.44958 16.4369 8.43325 4.14738 9.11447 14.2112 14.2898 7.98679 12.9999 15.0129 numMergedOcc 0
12 mol 44 unq 0 iso 0 dist 7.03812 11.0744 7.52117 9.60832 9.17518 5.87283 10.0797 7.03307 4.55437 9.05795 numMergedOcc 0
13 mol 44 unq 1 iso 0 dist 7.03812 11.0744 7.52117 9.60832 9.17518 5.87283 6.29545 7.25707 6.16231 6.37181 numMergedOcc 0
14 mol 44 unq 2 iso 0 dist 7.03812 11.0744 7.52117 5.27237 8.21833 10.6223 10.0797 7.03307 4.55437 11.814 numMergedOcc 0
15 mol 44 unq 3 iso 0 dist 7.03812 11.0744 7.52117 5.27237 8.21833 10.6223 6.29545 7.25707 6.16231 7.77924 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 12.5605 7.85041 8.58164 15.595 7.62611 4.4022 6.957 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 8.42713 15.232 9.12858 12.5605 7.85041 9.67788 15.595 7.62611 8.96224 6.957 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 8.42713 12.5871 9.4523 12.5605 7.85041 5.33106 15.595 7.62611 10.3849 6.957 numMergedOcc 0
19 mol 93 unq 3 iso 0 dist 8.21032 6.25741 9.81831 10.878 7.85041 8.58164 4.38413 7.62611 4.4022 6.957 numMergedOcc 0
20 mol 93 unq 4 iso 0 dist 8.21032 10.0172 9.12858 10.878 7.85041 9.67788 4.38413 7.62611 8.96224 6.957 numMergedOcc 0
21 mol 93 unq 5 iso 0 dist 8.21032 13.6269 9.4523 10.878 7.85041 5.33106 4.38413 7.62611 10.3849 6.957 numMergedOcc 0
22 mol 120 unq 0 iso 0 dist 9.27951 5.89379 8.93905 9.70923 8.43028 8.94259 6.71699 6.03352 8.2619 4.51697 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 6.62468 13.474 9.28592 6.53156 6.82089 10.3933 12.1443 9.13191 8.01932 6.08911 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 6.62468 13.474 9.28592 6.53156 6.82089 10.3933 11.0466 6.95405 6.75397 11.562 numMergedOcc 0
25 mol 130 unq 2 iso 0 dist 6.62468 13.474 9.28592 4.72188 5.38314 9.16988 12.1443 9.13191 8.01932 10.0581 numMergedOcc 0
26 mol 130 unq 3 iso 0 dist 6.62468 13.474 9.28592 4.72188 5.38314 9.16988 11.0466 6.95405 6.75397 7.20197 numMergedOcc 0
27 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 4.10092 5.1101 5.08802 10.7246 7.25644 11.1681 10.7872 numMergedOcc 0
28 mol 147 unq 1 iso 0 dist 6.4752 8.95179 5.49226 4.47436 7.01133 10.1972 10.7246 7.25644 11.1681 7.66774 numMergedOcc 0
29 mol 147 unq 2 iso 0 dist 6.4752 10.5583 6.28351 4.10092 5.1101 8.59354 10.7246 7.25644 5.50251 10.7872 numMergedOcc 0
30 mol 147 unq 3 iso 0 dist 6.4752 10.5583 6.28351 4.47436 7.01133 8.54341 10.7246 7.25644 5.50251 7.66774 numMergedOcc 0
31 mol 158 unq 0 iso 0 dist 6.92225 9.86605 7.88319 5.49464 6.39981 6.63727 4.31531 6.76055 6.4079 5.42969 numMergedOcc 0
32 mol 158 unq 1 iso 0 dist 6.92225 9.86605 7.88319 5.49464 6.39981 6.63727 9.29425 9.36343 4.25067 4.77562 numMergedOcc 0
33 mol 175 unq 0 iso 0 dist 9.12296 4.27736 7.35824 10.3187 7.01126 11.1651 11.6344 5.89564 11.8693 4.30489 numMergedOcc 0
34 mol 175 unq 1 iso 0 dist 9.12296 4.27736 7.35824 10.3187 7.01126 11.1651 5.96987 5.60528 6.77832 4.57622 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 11.5684 9.77862 15.9311 10.7677 5.68348 11.6598 5.63279 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 7.47107 9.36943 8.12346 11.5684 9.77862 13.7758 10.7677 5.68348 12.0887 5.63279 numMergedOcc 0
37 mol 194 unq 2 iso 0 dist 7.47107 7.72655 8.83356 11.5684 9.77862 5.38925 10.7677 5.68348 7.11753 5.63279 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 7.47107 4.57265 8.2654 11.5684 9.77862 14.2415 10.7677 5.68348 12.8755 5.63279 numMergedOcc 0
39 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 8.59036 7.29542 5.06326 14.1101 9.23935 5.76292 9.51752 numMergedOcc 0
40 mol 225 unq 1 iso 0 dist 8.28454 10.754 8.87609 8.59036 7.29542 5.06326 12.969 7.77552 8.21235 10.9596 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 8.81373 6.06308 8.67805 6.0331 7.18771 10.0774 4.13135 5.0804 5.05321 5.2908 numMergedOcc 0
42 mol 239 unq 1 iso 0 dist 8.81373 6.06308 8.67805 4.9045 7.94894 9.8202 4.13135 5.0804 5.05321 5.91881 numMergedOcc 0
43 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 9.63193 9.42738 8.16326 14.7332 7.21655 6.26382 10.6815 numMergedOcc 0
44 mol 264 unq 1 iso 0 dist 8.28871 13.8765 6.14323 9.63193 9.42738 12.3807 14.7332 7.21655 5.24812 10.6815 numMergedOcc 0
45 mol 264 unq 2 iso 0 dist 7.94668 5.21164 6.04162 12.2052 9.42738 8.16326 10.3515 7.21655 6.26382 10.6815 numMergedOcc 0
46 mol 264 unq 3 iso 0 dist 7.94668 6.12009 6.14323 12.2052 9.42738 12.3807 10.3515 7.21655 5.24812 10.6815 numMergedOcc 0
47 mol 272 unq 0 iso 0 dist 8.36282 9.49608 9.64269 10.5255 7.55161 4.72202 10.2848 9.18635 10.2227 12.015 numMergedOcc 0
48 mol 272 unq 1 iso 0 dist 8.36282 5.87695 6.88809 10.5255 7.55161 8.5751 10.2848 9.18635 5.02308 12.015 numMergedOcc 0
49 mol 272 unq 2 iso 0 dist 8.36282 12.8166 8.46061 10.5255 7.55161 8.52877 10.2848 9.18635 6.32008 12.015 numMergedOcc 0
50 mol 277 unq 0 iso 0 dist 5.70326 9.08161 9.3936 7.49914 6.73126 6.21891 9.45482 8.81717 4.50065 9.00644 numMergedOcc 0
51 mol 279 unq 0 iso 0 dist 5.63154 5.15837 8.29305 7.73611 8.23056 5.3373 11.7377 9.30921 9.37316 6.29016 numMergedOcc 0
52 mol 279 unq 1 iso 0 dist 5.63154 8.33297 6.43341 7.73611 8.23056 7.18967 11.7377 9.30921 5.58929 6.29016 numMergedOcc 0
