0 mol 26 unq 0 iso 0 dist 9.46609 13.1626 8.44506 4.29919 9.5053 10.9837 6.0606 6.38243 7.11305 4.76998 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 9.23241 13.8028 7.09169 10.4112 7.75295 5.09224 6.82319 6.2676 9.22034 6.81798 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.53468 14.2026 8.03303 4.79924 7.62738 14.6243 10.0936 7.69861 8.96557 13.0054 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 5.90954 9.27925 8.03303 9.80492 7.62738 14.6243 3.45332 7.69861 8.96557 13.0054 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 15.595 7.62611 4.4022 3.91263 7.8435 16.1023 14.9656 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 15.595 7.62611 4.4022 5.59024 5.99269 13.1721 11.5397 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 8.42713 17.674 9.81831 15.595 7.62611 4.4022 12.9872 5.71763 9.34182 5.43515 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 8.42713 15.232 9.12858 15.595 7.62611 8.96224 3.91263 7.8435 12.4934 14.9656 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 8.42713 15.232 9.12858 15.595 7.62611 8.96224 5.59024 5.99269 11.0537 11.5397 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 8.42713 15.232 9.12858 15.595 7.62611 8.96224 12.9872 5.71763 12.0103 5.43515 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 8.42713 12.5871 9.4523 15.595 7.62611 10.3849 3.91263 7.8435 10.8106 14.9656 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 8.42713 12.5871 9.4523 15.595 7.62611 10.3849 5.59024 5.99269 7.14217 11.5397 numMergedOcc 0
12 mol 93 unq 8 iso 0 dist 8.42713 12.5871 9.4523 15.595 7.62611 10.3849 12.9872 5.71763 12.9351 5.43515 numMergedOcc 0
13 mol 93 unq 9 iso 0 dist 8.21032 6.25741 9.81831 4.38413 7.62611 4.4022 15.8131 7.8435 16.1023 14.9656 numMergedOcc 0
14 mol 93 unq 10 iso 0 dist 8.21032 6.25741 9.81831 4.38413 7.62611 4.4022 13.6266 5.99269 13.1721 11.5397 numMergedOcc 0
15 mol 93 unq 11 iso 0 dist 8.21032 6.25741 9.81831 4.38413 7.62611 4.4022 5.17052 5.71763 9.34182 5.43515 numMergedOcc 0
16 mol 93 unq 12 iso 0 dist 8.21032 10.0172 9.12858 4.38413 7.62611 8.96224 15.8131 7.8435 12.4934 14.9656 numMergedOcc 0
17 mol 93 unq 13 iso 0 dist 8.21032 10.0172 9.12858 4.38413 7.62611 8.96224 13.6266 5.99269 11.0537 11.5397 numMergedOcc 0
18 mol 93 unq 14 iso 0 dist 8.21032 10.0172 9.12858 4.38413 7.62611 8.96224 5.17052 5.71763 12.0103 5.43515 numMergedOcc 0
19 mol 93 unq 15 iso 0 dist 8.21032 13.6269 9.4523 4.38413 7.62611 10.3849 15.8131 7.8435 10.8106 14.9656 numMergedOcc 0
20 mol 93 unq 16 iso 0 dist 8.21032 13.6269 9.4523 4.38413 7.62611 10.3849 13.6266 5.99269 7.14217 11.5397 numMergedOcc 0
21 mol 93 unq 17 iso 0 dist 8.21032 13.6269 9.4523 4.38413 7.62611 10.3849 5.17052 5.71763 12.9351 5.43515 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 6.62468 13.474 9.28592 12.1443 9.13191 8.01932 8.17131 8.24966 8.14075 6.39648 numMergedOcc 0
23 mol 130 unq 1 iso 0 dist 6.62468 13.474 9.28592 11.0466 6.95405 6.75397 8.17131 8.24966 8.14075 10.3272 numMergedOcc 0
24 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 10.7246 7.25644 11.1681 11.5768 9.43989 12.068 3.88427 numMergedOcc 0
25 mol 147 unq 1 iso 0 dist 6.4752 10.5583 6.28351 10.7246 7.25644 5.50251 11.5768 9.43989 5.59468 3.88427 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 6.92225 9.86605 7.88319 4.31531 6.76055 6.4079 9.02669 6.11331 13.7172 11.3715 numMergedOcc 0
27 mol 158 unq 1 iso 0 dist 6.92225 9.86605 7.88319 9.29425 9.36343 4.25067 9.02669 6.11331 13.7172 14.1217 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 10.7677 5.68348 11.6598 12.1522 5.53324 10.0756 4.002 numMergedOcc 0
29 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 10.7677 5.68348 11.6598 5.18485 6.72182 11.8031 7.41775 numMergedOcc 0
30 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 10.7677 5.68348 12.0887 12.1522 5.53324 10.2793 4.002 numMergedOcc 0
31 mol 194 unq 3 iso 0 dist 7.47107 9.36943 8.12346 10.7677 5.68348 12.0887 5.18485 6.72182 9.09233 7.41775 numMergedOcc 0
32 mol 194 unq 4 iso 0 dist 7.47107 7.72655 8.83356 10.7677 5.68348 7.11753 12.1522 5.53324 10.463 4.002 numMergedOcc 0
33 mol 194 unq 5 iso 0 dist 7.47107 7.72655 8.83356 10.7677 5.68348 7.11753 5.18485 6.72182 4.66791 7.41775 numMergedOcc 0
34 mol 194 unq 6 iso 0 dist 7.47107 4.57265 8.2654 10.7677 5.68348 12.8755 12.1522 5.53324 12.8494 4.002 numMergedOcc 0
35 mol 194 unq 7 iso 0 dist 7.47107 4.57265 8.2654 10.7677 5.68348 12.8755 5.18485 6.72182 7.73551 7.41775 numMergedOcc 0
36 mol 218 unq 0 iso 0 dist 9.6309 9.24732 8.86175 10.2441 9.32945 4.92618 5.64434 8.04838 3.8877 6.95765 numMergedOcc 0
37 mol 218 unq 1 iso 0 dist 9.6309 10.8948 6.29511 10.2441 9.32945 7.84019 5.64434 8.04838 6.0516 6.95765 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 14.1101 9.23935 5.76292 11.1052 9.87668 17.3148 18.9885 numMergedOcc 0
39 mol 225 unq 1 iso 0 dist 8.28454 10.754 8.87609 14.1101 9.23935 5.76292 3.60045 8.42121 13.3773 16.1303 numMergedOcc 0
40 mol 225 unq 2 iso 0 dist 8.28454 10.754 8.87609 14.1101 9.23935 5.76292 12.7272 7.8744 3.97158 3.94409 numMergedOcc 0
41 mol 225 unq 3 iso 0 dist 8.28454 10.754 8.87609 14.1101 9.23935 5.76292 10.6169 4.98402 9.9875 7.96454 numMergedOcc 0
42 mol 225 unq 4 iso 0 dist 8.28454 10.754 8.87609 12.969 7.77552 8.21235 11.1052 9.87668 17.3148 17.5145 numMergedOcc 0
43 mol 225 unq 5 iso 0 dist 8.28454 10.754 8.87609 12.969 7.77552 8.21235 3.60045 8.42121 13.3773 14.5337 numMergedOcc 0
44 mol 225 unq 6 iso 0 dist 8.28454 10.754 8.87609 12.969 7.77552 8.21235 12.7272 7.8744 3.97158 6.88465 numMergedOcc 0
45 mol 225 unq 7 iso 0 dist 8.28454 10.754 8.87609 12.969 7.77552 8.21235 10.6169 4.98402 9.9875 4.45116 numMergedOcc 0
46 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 14.7332 7.21655 6.26382 3.63202 7.14086 11.4167 13.0036 numMergedOcc 0
47 mol 264 unq 1 iso 0 dist 8.28871 13.8765 6.14323 14.7332 7.21655 5.24812 3.63202 7.14086 13.2035 13.0036 numMergedOcc 0
48 mol 264 unq 2 iso 0 dist 7.94668 5.21164 6.04162 10.3515 7.21655 6.26382 13.3131 7.14086 11.4167 13.0036 numMergedOcc 0
49 mol 264 unq 3 iso 0 dist 7.94668 6.12009 6.14323 10.3515 7.21655 5.24812 13.3131 7.14086 13.2035 13.0036 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 5.63154 5.15837 8.29305 11.7377 9.30921 9.37316 3.77031 5.8304 6.5644 11.0079 numMergedOcc 0
51 mol 279 unq 1 iso 0 dist 5.63154 5.15837 8.29305 11.7377 9.30921 9.37316 9.11782 7.37478 8.70069 9.53157 numMergedOcc 0
52 mol 279 unq 2 iso 0 dist 5.63154 8.33297 6.43341 11.7377 9.30921 5.58929 3.77031 5.8304 9.40912 11.0079 numMergedOcc 0
53 mol 279 unq 3 iso 0 dist 5.63154 8.33297 6.43341 11.7377 9.30921 5.58929 9.11782 7.37478 4.14939 9.53157 numMergedOcc 0
