0 mol 79 unq 0 iso 0 dist 9.77084 7.56495 11.5615 5.84075 9.04293 12.5398 6.29733 13.1717 4.15789 11.179 numMergedOcc 0
1 mol 79 unq 1 iso 0 dist 9.77084 7.63923 10.6375 5.84075 9.04293 10.5441 5.41884 10.8282 6.20144 5.63083 numMergedOcc 0
2 mol 79 unq 2 iso 0 dist 9.77084 7.63923 10.6375 5.84075 9.04293 10.5441 6.29733 13.1717 4.808 11.179 numMergedOcc 0
3 mol 79 unq 3 iso 0 dist 8.02443 8.84225 6.49084 6.07693 8.18375 4.15789 10.8556 10.6844 4.808 5.30569 numMergedOcc 0
4 mol 79 unq 4 iso 0 dist 9.09458 7.38548 10.0358 5.25584 8.18375 9.56766 5.79629 10.6844 6.20144 5.30569 numMergedOcc 0
5 mol 79 unq 5 iso 0 dist 9.09458 6.72546 6.49084 5.25584 8.18375 4.15789 5.79629 10.6844 4.808 5.30569 numMergedOcc 0
6 mol 79 unq 6 iso 0 dist 6.5551 7.56495 10.2908 5.84075 4.78333 12.5398 6.29733 9.73588 4.15789 11.179 numMergedOcc 0
7 mol 79 unq 7 iso 0 dist 6.5551 7.56495 10.2908 5.41884 4.74254 9.56766 6.29733 9.73588 4.15789 7.13643 numMergedOcc 0
8 mol 79 unq 8 iso 0 dist 6.5551 7.63923 7.19532 5.84075 4.78333 10.5441 5.41884 4.74254 6.20144 5.63083 numMergedOcc 0
9 mol 79 unq 9 iso 0 dist 6.5551 7.63923 7.19532 5.84075 4.78333 10.5441 6.29733 9.73588 4.808 11.179 numMergedOcc 0
10 mol 79 unq 10 iso 0 dist 6.5551 7.63923 7.19532 5.41884 4.74254 6.20144 6.29733 9.73588 4.808 7.13643 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 5.05893 8.04853 3.65186 5.22259 4.29937 6.67137 7.66499 5.37869 7.04244 2.58673 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 5.22259 4.29937 6.67137 2.58673 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 5.71866 8.04853 7.00044 5.22259 3.65628 6.67137 7.66499 4.05415 7.04244 2.58673 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 5.22259 3.65628 6.67137 2.58673 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 9.19977 5.56839 13.1331 5.64998 6.67678 10.8976 5.01255 14.057 5.20429 10.0431 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 9.19977 5.56839 13.1331 5.64998 6.67678 10.8976 9.11323 15.797 8.71366 11.0739 numMergedOcc 0
17 mol 93 unq 2 iso 0 dist 9.19977 5.56839 13.1331 4.76749 7.24956 10.3155 5.01255 14.057 5.20429 8.64032 numMergedOcc 0
18 mol 93 unq 3 iso 0 dist 9.19977 5.56839 13.1331 4.76749 7.24956 10.3155 9.11323 15.797 8.71366 12.141 numMergedOcc 0
19 mol 93 unq 4 iso 0 dist 9.19977 5.56839 13.1331 15.6931 8.28591 20.602 5.01255 14.057 5.20429 20.2887 numMergedOcc 0
20 mol 93 unq 5 iso 0 dist 9.19977 5.56839 13.1331 15.6931 8.28591 20.602 9.11323 15.797 8.71366 21.1252 numMergedOcc 0
21 mol 93 unq 6 iso 0 dist 9.19977 5.56839 13.1331 14.8662 9.40687 20.1586 5.01255 14.057 5.20429 18.7487 numMergedOcc 0
22 mol 93 unq 7 iso 0 dist 9.19977 5.56839 13.1331 14.8662 9.40687 20.1586 9.11323 15.797 8.71366 21.5063 numMergedOcc 0
23 mol 93 unq 8 iso 0 dist 7.28831 7.83506 13.1331 4.34681 6.67678 10.8976 8.98901 14.057 5.20429 10.0431 numMergedOcc 0
24 mol 93 unq 9 iso 0 dist 7.28831 7.83506 13.1331 4.34681 6.67678 10.8976 8.52329 15.797 8.71366 11.0739 numMergedOcc 0
25 mol 93 unq 10 iso 0 dist 7.28831 7.83506 13.1331 5.73248 7.24956 10.3155 8.98901 14.057 5.20429 8.64032 numMergedOcc 0
26 mol 93 unq 11 iso 0 dist 7.28831 7.83506 13.1331 5.73248 7.24956 10.3155 8.52329 15.797 8.71366 12.141 numMergedOcc 0
27 mol 93 unq 12 iso 0 dist 7.28831 7.83506 13.1331 13.5809 8.28591 20.602 8.98901 14.057 5.20429 20.2887 numMergedOcc 0
28 mol 93 unq 13 iso 0 dist 7.28831 7.83506 13.1331 13.5809 8.28591 20.602 8.52329 15.797 8.71366 21.1252 numMergedOcc 0
29 mol 93 unq 14 iso 0 dist 7.28831 7.83506 13.1331 14.149 9.40687 20.1586 8.98901 14.057 5.20429 18.7487 numMergedOcc 0
30 mol 93 unq 15 iso 0 dist 7.28831 7.83506 13.1331 14.149 9.40687 20.1586 8.52329 15.797 8.71366 21.5063 numMergedOcc 0
31 mol 113 unq 0 iso 0 dist 9.30645 7.40338 9.59189 6.29259 8.67025 5.31126 7.08122 11.1678 7.16619 2.75715 numMergedOcc 0
32 mol 169 unq 0 iso 0 dist 6.0859 7.85698 12.6492 5.68902 9.06172 10.1862 6.28646 10.343 5.10589 11.1055 numMergedOcc 0
33 mol 169 unq 1 iso 0 dist 9.15283 6.35799 12.6492 3.83687 9.06172 10.1862 7.83748 10.343 5.10589 11.1055 numMergedOcc 0
34 mol 169 unq 2 iso 0 dist 6.05009 7.85698 13.7198 5.68902 8.93091 10.1862 6.28646 10.9391 5.10589 11.1055 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 9.45907 8.72743 3.60793 14.2269 8.17928 7.25595 9.76301 13.2028 9.94825 12.8007 numMergedOcc 0
36 mol 193 unq 0 iso 0 dist 8.15661 9.9042 9.3899 5.96435 6.94187 12.6747 11.1328 15.206 8.30069 14.6395 numMergedOcc 0
37 mol 193 unq 1 iso 0 dist 8.15661 9.9042 9.3899 5.96435 6.94187 12.6747 11.6691 16.2846 8.83551 16.5615 numMergedOcc 0
38 mol 194 unq 0 iso 0 dist 4.19371 8.43182 9.23342 3.7326 4.45769 5.10542 7.29209 5.89939 4.68722 3.78714 numMergedOcc 0
39 mol 194 unq 1 iso 0 dist 4.19371 8.43182 9.23342 7.29209 5.89939 4.68722 3.7326 4.45769 5.10542 3.78714 numMergedOcc 0
40 mol 194 unq 2 iso 0 dist 9.71015 8.43182 11.7699 3.7326 8.99961 5.10542 7.29209 8.18853 4.68722 3.78714 numMergedOcc 0
41 mol 194 unq 3 iso 0 dist 9.71015 8.43182 11.7699 7.29209 8.18853 4.68722 3.7326 8.99961 5.10542 3.78714 numMergedOcc 0
42 mol 214 unq 0 iso 0 dist 5.31416 8.41013 8.88633 6.28944 9.59928 7.96338 7.23583 11.1063 7.42759 2.86233 numMergedOcc 0
43 mol 214 unq 1 iso 0 dist 5.44533 5.05626 7.87816 7.23583 7.66702 10.7359 6.28944 7.70062 8.66082 2.86233 numMergedOcc 0
44 mol 214 unq 2 iso 0 dist 5.44533 8.41013 3.64285 6.28944 7.70062 7.96338 7.23583 7.66702 7.42759 2.86233 numMergedOcc 0
45 mol 214 unq 3 iso 0 dist 5.44533 8.41013 3.64285 7.23583 7.66702 7.42759 6.28944 7.70062 7.96338 2.86233 numMergedOcc 0
46 mol 260 unq 0 iso 0 dist 6.75725 6.49413 8.04546 3.60349 8.51564 9.66527 7.28821 11.8771 8.62655 9.93488 numMergedOcc 0
47 mol 260 unq 1 iso 0 dist 9.31888 6.12343 9.94995 7.28821 7.49606 11.9844 3.60349 11.5762 7.04263 9.93488 numMergedOcc 0
48 mol 260 unq 2 iso 0 dist 9.31888 4.52405 12.8784 7.28821 7.49606 9.01781 3.60349 11.5762 6.48099 9.93488 numMergedOcc 0
