0 mol 24 unq 0 iso 0 dist 6.72323 5.80953 10.0453 7.85986 12.2839 11.1587 9.63925 14.8722 7.7447 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.72323 5.80953 10.0453 4.30252 6.22954 8.72577 9.63925 14.8722 7.7447 10.2171 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 9.78384 9.77084 3.99035 7.56495 13.2204 11.5615 5.84075 6.86517 9.04293 12.5398 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 9.78384 9.77084 3.99035 7.63923 10.8598 10.6375 5.84075 6.86517 9.04293 10.5441 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 9.78384 9.77084 3.99035 8.23095 8.81685 5.57609 5.84075 6.86517 9.04293 10.8758 numMergedOcc 0
5 mol 79 unq 3 iso 0 dist 9.78384 6.5551 4.53016 7.56495 13.2204 10.2908 5.84075 6.86517 4.78333 12.5398 numMergedOcc 0
6 mol 79 unq 4 iso 0 dist 9.78384 6.5551 4.53016 7.56495 13.2204 10.2908 5.41884 9.21098 4.74254 9.56766 numMergedOcc 0
7 mol 79 unq 5 iso 0 dist 9.78384 6.5551 4.53016 7.63923 10.8598 7.19532 5.84075 6.86517 4.78333 10.5441 numMergedOcc 0
8 mol 79 unq 6 iso 0 dist 9.78384 6.5551 4.53016 7.63923 10.8598 7.19532 5.41884 9.21098 4.74254 6.20144 numMergedOcc 0
9 mol 79 unq 7 iso 0 dist 9.78384 6.5551 4.53016 8.23095 8.81685 8.58888 5.84075 6.86517 4.78333 10.8758 numMergedOcc 0
10 mol 79 unq 8 iso 0 dist 9.78384 6.5551 4.53016 8.23095 8.81685 8.58888 5.41884 9.21098 4.74254 11.082 numMergedOcc 0
11 mol 79 unq 9 iso 0 dist 8.03296 8.02443 3.81317 9.99805 8.85563 5.60343 6.07693 6.2576 8.18375 10.5782 numMergedOcc 0
12 mol 79 unq 10 iso 0 dist 8.03296 8.02443 3.81317 8.84225 4.37918 6.49084 6.07693 6.2576 8.18375 4.15789 numMergedOcc 0
13 mol 79 unq 11 iso 0 dist 5.82754 8.02443 4.08868 9.99805 6.01885 5.60343 6.07693 8.96069 8.18375 10.5782 numMergedOcc 0
14 mol 79 unq 12 iso 0 dist 5.82754 8.02443 4.08868 8.84225 9.08423 6.49084 6.07693 8.96069 8.18375 4.15789 numMergedOcc 0
15 mol 79 unq 13 iso 0 dist 8.87742 9.77084 12.2375 7.56495 6.07693 11.5615 5.84075 14.0221 9.04293 12.5398 numMergedOcc 0
16 mol 79 unq 14 iso 0 dist 8.87742 9.77084 12.2375 7.63923 10.8556 10.6375 5.84075 14.0221 9.04293 10.5441 numMergedOcc 0
17 mol 79 unq 15 iso 0 dist 8.87742 9.77084 12.2375 8.23095 6.94036 5.57609 5.84075 14.0221 9.04293 10.8758 numMergedOcc 0
18 mol 79 unq 16 iso 0 dist 8.87742 6.5551 13.1414 7.56495 6.07693 10.2908 5.84075 14.0221 4.78333 12.5398 numMergedOcc 0
19 mol 79 unq 17 iso 0 dist 8.87742 6.5551 13.1414 7.56495 6.07693 10.2908 5.41884 13.2872 4.74254 9.56766 numMergedOcc 0
20 mol 79 unq 18 iso 0 dist 8.87742 6.5551 13.1414 7.63923 10.8556 7.19532 5.84075 14.0221 4.78333 10.5441 numMergedOcc 0
21 mol 79 unq 19 iso 0 dist 8.87742 6.5551 13.1414 7.63923 10.8556 7.19532 5.41884 13.2872 4.74254 6.20144 numMergedOcc 0
22 mol 79 unq 20 iso 0 dist 8.87742 6.5551 13.1414 8.23095 6.94036 8.58888 5.84075 14.0221 4.78333 10.8758 numMergedOcc 0
23 mol 79 unq 21 iso 0 dist 8.87742 6.5551 13.1414 8.23095 6.94036 8.58888 5.41884 13.2872 4.74254 11.082 numMergedOcc 0
24 mol 79 unq 22 iso 0 dist 8.87742 8.02443 6.06691 9.99805 3.94192 5.60343 6.07693 7.56495 8.18375 10.5782 numMergedOcc 0
25 mol 79 unq 23 iso 0 dist 8.87742 8.02443 6.06691 8.84225 6.29733 6.49084 6.07693 7.56495 8.18375 4.15789 numMergedOcc 0
26 mol 79 unq 24 iso 0 dist 9.26979 9.09458 3.81317 8.33791 13.333 11.4347 5.25584 6.2576 8.18375 12.5398 numMergedOcc 0
27 mol 79 unq 25 iso 0 dist 9.26979 9.09458 3.81317 7.38548 10.3746 10.0358 5.25584 6.2576 8.18375 9.56766 numMergedOcc 0
28 mol 79 unq 26 iso 0 dist 9.26979 9.09458 3.81317 8.2992 8.85563 5.60343 5.25584 6.2576 8.18375 10.5782 numMergedOcc 0
29 mol 79 unq 27 iso 0 dist 9.26979 9.09458 3.81317 6.72546 4.37918 6.49084 5.25584 6.2576 8.18375 4.15789 numMergedOcc 0
30 mol 79 unq 28 iso 0 dist 9.05679 9.09458 4.08868 8.33791 12.313 11.4347 5.25584 8.96069 8.18375 12.5398 numMergedOcc 0
31 mol 79 unq 29 iso 0 dist 9.05679 9.09458 4.08868 7.38548 12.3366 10.0358 5.25584 8.96069 8.18375 9.56766 numMergedOcc 0
32 mol 79 unq 30 iso 0 dist 9.05679 9.09458 4.08868 8.2992 6.01885 5.60343 5.25584 8.96069 8.18375 10.5782 numMergedOcc 0
33 mol 79 unq 31 iso 0 dist 9.05679 9.09458 4.08868 6.72546 9.08423 6.49084 5.25584 8.96069 8.18375 4.15789 numMergedOcc 0
34 mol 79 unq 32 iso 0 dist 4.93468 9.77084 6.69352 7.56495 5.25584 11.5615 5.84075 8.33791 9.04293 12.5398 numMergedOcc 0
35 mol 79 unq 33 iso 0 dist 4.93468 9.77084 6.69352 7.63923 5.79629 10.6375 5.84075 8.33791 9.04293 10.5441 numMergedOcc 0
36 mol 79 unq 34 iso 0 dist 4.93468 9.77084 6.69352 8.23095 3.90527 5.57609 5.84075 8.33791 9.04293 10.8758 numMergedOcc 0
37 mol 79 unq 35 iso 0 dist 4.93468 6.5551 6.0749 7.56495 5.25584 10.2908 5.84075 8.33791 4.78333 12.5398 numMergedOcc 0
38 mol 79 unq 36 iso 0 dist 4.93468 6.5551 6.0749 7.56495 5.25584 10.2908 5.41884 7.38548 4.74254 9.56766 numMergedOcc 0
39 mol 79 unq 37 iso 0 dist 4.93468 6.5551 6.0749 7.63923 5.79629 7.19532 5.84075 8.33791 4.78333 10.5441 numMergedOcc 0
40 mol 79 unq 38 iso 0 dist 4.93468 6.5551 6.0749 7.63923 5.79629 7.19532 5.41884 7.38548 4.74254 6.20144 numMergedOcc 0
41 mol 79 unq 39 iso 0 dist 4.93468 6.5551 6.0749 8.23095 3.90527 8.58888 5.84075 8.33791 4.78333 10.8758 numMergedOcc 0
42 mol 79 unq 40 iso 0 dist 4.93468 6.5551 6.0749 8.23095 3.90527 8.58888 5.41884 7.38548 4.74254 11.082 numMergedOcc 0
43 mol 79 unq 41 iso 0 dist 4.93468 9.09458 6.06691 8.33791 5.84075 11.4347 5.25584 7.56495 8.18375 12.5398 numMergedOcc 0
44 mol 79 unq 42 iso 0 dist 4.93468 9.09458 6.06691 7.38548 5.41884 10.0358 5.25584 7.56495 8.18375 9.56766 numMergedOcc 0
45 mol 79 unq 43 iso 0 dist 4.93468 9.09458 6.06691 8.2992 3.94192 5.60343 5.25584 7.56495 8.18375 10.5782 numMergedOcc 0
46 mol 79 unq 44 iso 0 dist 4.93468 9.09458 6.06691 6.72546 6.29733 6.49084 5.25584 7.56495 8.18375 4.15789 numMergedOcc 0
47 mol 85 unq 0 iso 0 dist 9.66222 5.05893 11.0952 8.04853 11.3242 3.65186 5.22259 9.07499 4.29937 6.67137 numMergedOcc 0
48 mol 85 unq 1 iso 0 dist 9.66222 5.05893 11.0952 8.04853 11.3242 3.65186 7.66499 10.671 5.37869 7.04244 numMergedOcc 0
49 mol 85 unq 2 iso 0 dist 9.66222 5.05893 11.0952 6.46549 15.4245 5.41777 5.22259 9.07499 4.29937 8.49871 numMergedOcc 0
50 mol 85 unq 3 iso 0 dist 9.66222 5.05893 11.0952 6.46549 15.4245 5.41777 7.66499 10.671 5.37869 9.59497 numMergedOcc 0
51 mol 85 unq 4 iso 0 dist 9.66222 5.71866 12.5181 8.04853 11.3242 7.00044 5.22259 9.07499 3.65628 6.67137 numMergedOcc 0
52 mol 85 unq 5 iso 0 dist 9.66222 5.71866 12.5181 8.04853 11.3242 7.00044 7.66499 10.671 4.05415 7.04244 numMergedOcc 0
53 mol 85 unq 6 iso 0 dist 9.66222 5.71866 12.5181 6.46549 15.4245 5.85247 5.22259 9.07499 3.65628 8.49871 numMergedOcc 0
54 mol 85 unq 7 iso 0 dist 9.66222 5.71866 12.5181 6.46549 15.4245 5.85247 7.66499 10.671 4.05415 9.59497 numMergedOcc 0
55 mol 91 unq 0 iso 0 dist 8.66165 8.77355 10.6223 9.97813 5.21888 9.60912 12.8723 13.4457 7.71625 14.8326 numMergedOcc 0
56 mol 93 unq 0 iso 0 dist 8.74378 9.19977 11.7638 5.56839 5.90646 13.1331 5.64998 12.5925 6.67678 10.8976 numMergedOcc 0
57 mol 93 unq 1 iso 0 dist 8.74378 9.19977 11.7638 5.56839 5.90646 13.1331 4.76749 12.4787 7.24956 10.3155 numMergedOcc 0
58 mol 93 unq 2 iso 0 dist 8.74378 9.19977 11.7638 5.56839 5.90646 13.1331 15.6931 19.9616 8.28591 20.602 numMergedOcc 0
59 mol 93 unq 3 iso 0 dist 8.74378 9.19977 11.7638 5.56839 5.90646 13.1331 14.8662 20.4892 9.40687 20.1586 numMergedOcc 0
60 mol 93 unq 4 iso 0 dist 8.89417 7.28831 11.7638 7.83506 5.90646 13.1331 4.34681 12.5925 6.67678 10.8976 numMergedOcc 0
61 mol 93 unq 5 iso 0 dist 8.89417 7.28831 11.7638 7.83506 5.90646 13.1331 5.73248 12.4787 7.24956 10.3155 numMergedOcc 0
62 mol 93 unq 6 iso 0 dist 8.89417 7.28831 11.7638 7.83506 5.90646 13.1331 13.5809 19.9616 8.28591 20.602 numMergedOcc 0
63 mol 93 unq 7 iso 0 dist 8.89417 7.28831 11.7638 7.83506 5.90646 13.1331 14.149 20.4892 9.40687 20.1586 numMergedOcc 0
64 mol 93 unq 8 iso 0 dist 9.95255 7.28831 5.93472 7.83506 12.949 13.1331 4.34681 11.4623 6.67678 10.8976 numMergedOcc 0
65 mol 93 unq 9 iso 0 dist 9.95255 7.28831 5.93472 7.83506 12.949 13.1331 5.73248 11.6044 7.24956 10.3155 numMergedOcc 0
66 mol 93 unq 10 iso 0 dist 9.95255 7.28831 5.93472 7.83506 12.949 13.1331 13.5809 13.2775 8.28591 20.602 numMergedOcc 0
67 mol 93 unq 11 iso 0 dist 9.95255 7.28831 5.93472 7.83506 12.949 13.1331 14.149 14.6178 9.40687 20.1586 numMergedOcc 0
68 mol 113 unq 0 iso 0 dist 6.6317 9.30645 9.74974 7.40338 13.2601 9.59189 6.29259 10.6717 8.67025 5.31126 numMergedOcc 0
69 mol 131 unq 0 iso 0 dist 5.87084 7.75314 6.11089 7.84546 4.60864 6.95147 4.94367 8.47526 8.49847 7.53342 numMergedOcc 0
70 mol 184 unq 0 iso 0 dist 7.54099 7.81263 7.81466 7.02762 4.12242 3.74437 5.69882 10.6243 7.25623 8.53111 numMergedOcc 0
71 mol 194 unq 0 iso 0 dist 6.1886 4.19371 4.002 8.43182 13.0087 9.23342 3.7326 8.13022 4.45769 5.10542 numMergedOcc 0
72 mol 194 unq 1 iso 0 dist 6.1886 4.19371 4.002 8.43182 13.0087 9.23342 7.29209 9.82667 5.89939 4.68722 numMergedOcc 0
73 mol 194 unq 2 iso 0 dist 6.1886 9.71015 7.09553 8.43182 13.0087 11.7699 3.7326 8.13022 8.99961 5.10542 numMergedOcc 0
74 mol 194 unq 3 iso 0 dist 6.1886 9.71015 7.09553 8.43182 13.0087 11.7699 7.29209 9.82667 8.18853 4.68722 numMergedOcc 0
75 mol 235 unq 0 iso 0 dist 6.94789 7.39085 14.2323 7.26232 3.66752 14.4239 8.80447 13.9134 9.24564 11.8163 numMergedOcc 0
76 mol 260 unq 0 iso 0 dist 9.32954 6.75725 9.07649 6.49413 4.07425 8.04546 3.60349 12.8322 8.51564 9.66527 numMergedOcc 0
77 mol 260 unq 1 iso 0 dist 9.32954 6.75725 9.07649 6.12343 9.82931 8.22506 3.60349 12.8322 8.51564 7.04263 numMergedOcc 0
78 mol 260 unq 2 iso 0 dist 9.32954 6.75725 9.07649 4.52405 9.36278 3.68866 3.60349 12.8322 8.51564 6.48099 numMergedOcc 0
79 mol 260 unq 3 iso 0 dist 9.32954 9.31888 9.46408 6.49413 4.07425 7.35802 7.28821 9.24869 7.49606 8.62655 numMergedOcc 0
80 mol 260 unq 4 iso 0 dist 9.32954 9.31888 9.46408 6.12343 9.82931 9.94995 7.28821 9.24869 7.49606 11.9844 numMergedOcc 0
81 mol 260 unq 5 iso 0 dist 9.32954 9.31888 9.46408 4.52405 9.36278 12.8784 7.28821 9.24869 7.49606 9.01781 numMergedOcc 0
