0 mol 93 unq 0 iso 0 dist 9.81831 8.58164 7.85041 4.4022 7.62611 6.957 16.1023 7.8435 12.1673 14.9656 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 9.81831 8.58164 7.85041 4.4022 7.62611 6.957 13.1721 5.99269 7.30779 11.5397 numMergedOcc 0
2 mol 93 unq 2 iso 0 dist 9.81831 8.58164 7.85041 4.4022 7.62611 6.957 9.34182 5.71763 9.18194 5.43515 numMergedOcc 0
3 mol 93 unq 3 iso 0 dist 9.12858 9.67788 7.85041 8.96224 7.62611 6.957 12.4934 7.8435 12.1673 14.9656 numMergedOcc 0
4 mol 93 unq 4 iso 0 dist 9.12858 9.67788 7.85041 8.96224 7.62611 6.957 11.0537 5.99269 7.30779 11.5397 numMergedOcc 0
5 mol 93 unq 5 iso 0 dist 9.12858 9.67788 7.85041 8.96224 7.62611 6.957 12.0103 5.71763 9.18194 5.43515 numMergedOcc 0
6 mol 93 unq 6 iso 0 dist 9.4523 5.33106 7.85041 10.3849 7.62611 6.957 10.8106 7.8435 12.1673 14.9656 numMergedOcc 0
7 mol 93 unq 7 iso 0 dist 9.4523 5.33106 7.85041 10.3849 7.62611 6.957 7.14217 5.99269 7.30779 11.5397 numMergedOcc 0
8 mol 93 unq 8 iso 0 dist 9.4523 5.33106 7.85041 10.3849 7.62611 6.957 12.9351 5.71763 9.18194 5.43515 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 9.28592 10.3933 6.82089 8.01932 9.13191 6.08911 8.14075 8.24966 4.02212 6.39648 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 9.28592 10.3933 6.82089 6.75397 6.95405 11.562 8.14075 8.24966 4.02212 10.3272 numMergedOcc 0
11 mol 130 unq 2 iso 0 dist 9.28592 9.16988 5.38314 8.01932 9.13191 10.0581 8.14075 8.24966 5.46642 6.39648 numMergedOcc 0
12 mol 130 unq 3 iso 0 dist 9.28592 9.16988 5.38314 6.75397 6.95405 7.20197 8.14075 8.24966 5.46642 10.3272 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 9.15431 7.71288 9.39683 6.51918 5.44303 10.8622 4.57579 6.78801 8.34485 6.11089 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 9.15431 7.71288 9.39683 9.60968 8.50562 12.6448 4.57579 6.78801 8.34485 10.9311 numMergedOcc 0
15 mol 131 unq 2 iso 0 dist 6.92648 4.89973 9.39683 7.92788 5.44303 10.8622 8.57203 6.78801 8.34485 6.11089 numMergedOcc 0
16 mol 131 unq 3 iso 0 dist 6.92648 4.89973 9.39683 8.23791 8.50562 12.6448 8.57203 6.78801 8.34485 10.9311 numMergedOcc 0
17 mol 131 unq 4 iso 0 dist 9.29384 7.00551 9.39683 13.1439 5.44303 10.8622 12.6005 6.78801 8.34485 6.11089 numMergedOcc 0
18 mol 131 unq 5 iso 0 dist 9.29384 7.00551 9.39683 13.7237 8.50562 12.6448 12.6005 6.78801 8.34485 10.9311 numMergedOcc 0
19 mol 147 unq 0 iso 0 dist 5.49226 5.08802 5.1101 11.1681 7.25644 10.7872 12.068 9.43989 11.4653 3.88427 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 5.49226 10.1972 7.01133 11.1681 7.25644 7.66774 12.068 9.43989 7.68412 3.88427 numMergedOcc 0
21 mol 147 unq 2 iso 0 dist 6.28351 8.59354 5.1101 5.50251 7.25644 10.7872 5.59468 9.43989 11.4653 3.88427 numMergedOcc 0
22 mol 147 unq 3 iso 0 dist 6.28351 8.54341 7.01133 5.50251 7.25644 7.66774 5.59468 9.43989 7.68412 3.88427 numMergedOcc 0
23 mol 158 unq 0 iso 0 dist 7.88319 6.63727 6.39981 6.4079 6.76055 5.42969 13.7172 6.11331 9.88872 11.3715 numMergedOcc 0
24 mol 158 unq 1 iso 0 dist 7.88319 6.63727 6.39981 4.25067 9.36343 4.77562 13.7172 6.11331 9.88872 14.1217 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.83476 13.1933 7.94153 10.5063 4.5271 4.35079 13.6744 7.04815 5.93479 3.87169 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.83476 13.1933 7.94153 10.5063 4.5271 4.35079 15.0914 6.07389 5.86306 5.65634 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 9.83476 13.1933 7.94153 14.4429 7.02575 5.34643 13.6744 7.04815 5.93479 8.65911 numMergedOcc 0
28 mol 186 unq 3 iso 0 dist 9.83476 13.1933 7.94153 14.4429 7.02575 5.34643 15.0914 6.07389 5.86306 3.87082 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 6.26839 15.9311 9.77862 11.6598 5.68348 5.63279 10.0756 5.53324 8.31541 4.002 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 6.26839 15.9311 9.77862 11.6598 5.68348 5.63279 11.8031 6.72182 6.72001 7.41775 numMergedOcc 0
31 mol 194 unq 2 iso 0 dist 8.12346 13.7758 9.77862 12.0887 5.68348 5.63279 10.2793 5.53324 8.31541 4.002 numMergedOcc 0
32 mol 194 unq 3 iso 0 dist 8.12346 13.7758 9.77862 12.0887 5.68348 5.63279 9.09233 6.72182 6.72001 7.41775 numMergedOcc 0
33 mol 194 unq 4 iso 0 dist 8.83356 5.38925 9.77862 7.11753 5.68348 5.63279 10.463 5.53324 8.31541 4.002 numMergedOcc 0
34 mol 194 unq 5 iso 0 dist 8.83356 5.38925 9.77862 7.11753 5.68348 5.63279 4.66791 6.72182 6.72001 7.41775 numMergedOcc 0
35 mol 194 unq 6 iso 0 dist 8.2654 14.2415 9.77862 12.8755 5.68348 5.63279 12.8494 5.53324 8.31541 4.002 numMergedOcc 0
36 mol 194 unq 7 iso 0 dist 8.2654 14.2415 9.77862 12.8755 5.68348 5.63279 7.73551 6.72182 6.72001 7.41775 numMergedOcc 0
37 mol 210 unq 0 iso 0 dist 7.63018 10.9823 6.4829 5.85636 5.57779 5.96222 11.3763 9.14831 15.1464 12.2656 numMergedOcc 0
38 mol 210 unq 1 iso 0 dist 7.63018 10.9823 6.4829 10.0337 7.05649 10.1011 11.3763 9.14831 15.1464 7.76842 numMergedOcc 0
39 mol 210 unq 2 iso 0 dist 7.63018 10.9823 6.4829 7.67559 6.78579 12.5026 11.3763 9.14831 15.1464 3.93305 numMergedOcc 0
40 mol 225 unq 0 iso 0 dist 8.87609 5.06326 7.29542 5.76292 9.23935 9.51752 17.3148 9.87668 13.317 18.9885 numMergedOcc 0
41 mol 225 unq 1 iso 0 dist 8.87609 5.06326 7.29542 5.76292 9.23935 9.51752 13.3773 8.42121 10.43 16.1303 numMergedOcc 0
42 mol 225 unq 2 iso 0 dist 8.87609 5.06326 7.29542 5.76292 9.23935 9.51752 3.97158 7.8744 6.24324 3.94409 numMergedOcc 0
43 mol 225 unq 3 iso 0 dist 8.87609 5.06326 7.29542 5.76292 9.23935 9.51752 9.9875 4.98402 10.7885 7.96454 numMergedOcc 0
44 mol 225 unq 4 iso 0 dist 8.87609 5.06326 7.29542 8.21235 7.77552 10.9596 17.3148 9.87668 13.317 17.5145 numMergedOcc 0
45 mol 225 unq 5 iso 0 dist 8.87609 5.06326 7.29542 8.21235 7.77552 10.9596 13.3773 8.42121 10.43 14.5337 numMergedOcc 0
46 mol 225 unq 6 iso 0 dist 8.87609 5.06326 7.29542 8.21235 7.77552 10.9596 3.97158 7.8744 6.24324 6.88465 numMergedOcc 0
47 mol 225 unq 7 iso 0 dist 8.87609 5.06326 7.29542 8.21235 7.77552 10.9596 9.9875 4.98402 10.7885 4.45116 numMergedOcc 0
48 mol 264 unq 0 iso 0 dist 6.04162 8.16326 9.42738 6.26382 7.21655 10.6815 11.4167 7.14086 9.04569 13.0036 numMergedOcc 0
49 mol 264 unq 1 iso 0 dist 6.14323 12.3807 9.42738 5.24812 7.21655 10.6815 13.2035 7.14086 9.04569 13.0036 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 8.29305 5.3373 8.23056 9.37316 9.30921 6.29016 6.5644 5.8304 6.25207 11.0079 numMergedOcc 0
51 mol 279 unq 1 iso 0 dist 8.29305 5.3373 8.23056 9.37316 9.30921 6.29016 8.70069 7.37478 10.8722 9.53157 numMergedOcc 0
52 mol 279 unq 2 iso 0 dist 6.43341 7.18967 8.23056 5.58929 9.30921 6.29016 9.40912 5.8304 6.25207 11.0079 numMergedOcc 0
53 mol 279 unq 3 iso 0 dist 6.43341 7.18967 8.23056 5.58929 9.30921 6.29016 4.14939 7.37478 10.8722 9.53157 numMergedOcc 0
