0 mol 10 unq 0 iso 0 dist 5.59965 6.18431 3.92592 7.60549 9.85732 6.77807 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.98326 6.859 9.74251 6.76736 9.81983 9.89425 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 7.46578 6.859 6.56765 6.76736 13.0898 9.89425 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 9.95212 8.54034 9.79414 6.08459 12.8274 5.72005 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.00171 9.85784 5.70626 4.11146 10.0586 9.58192 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 5.95834 9.85784 11.6859 4.11146 5.9372 9.58192 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 4.2121 9.85784 11.076 4.11146 6.93597 9.58192 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 6.72323 9.85784 14.6305 4.11146 10.716 9.58192 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 6.72323 5.80953 10.0453 9.63925 14.8722 7.7447 numMergedOcc 0
9 mol 26 unq 0 iso 0 dist 6.56527 6.81793 4.76998 12.5394 9.11311 8.97754 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 6.74766 7.98985 12.5617 3.99506 10.3263 5.64092 numMergedOcc 0
11 mol 68 unq 1 iso 0 dist 6.74766 7.98985 12.5617 16.2325 20.9106 8.71074 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.78384 9.77084 3.99035 5.84075 6.86517 9.04293 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 9.78384 6.5551 4.53016 5.84075 6.86517 4.78333 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 9.78384 6.5551 4.53016 5.41884 9.21098 4.74254 numMergedOcc 0
15 mol 79 unq 3 iso 0 dist 8.03296 8.02443 3.81317 6.07693 6.2576 8.18375 numMergedOcc 0
16 mol 79 unq 4 iso 0 dist 5.82754 8.02443 4.08868 6.07693 8.96069 8.18375 numMergedOcc 0
17 mol 79 unq 5 iso 0 dist 8.87742 9.77084 12.2375 5.84075 14.0221 9.04293 numMergedOcc 0
18 mol 79 unq 6 iso 0 dist 8.87742 6.5551 13.1414 5.84075 14.0221 4.78333 numMergedOcc 0
19 mol 79 unq 7 iso 0 dist 8.87742 6.5551 13.1414 5.41884 13.2872 4.74254 numMergedOcc 0
20 mol 79 unq 8 iso 0 dist 8.87742 8.02443 6.06691 6.07693 7.56495 8.18375 numMergedOcc 0
21 mol 79 unq 9 iso 0 dist 9.26979 9.09458 3.81317 5.25584 6.2576 8.18375 numMergedOcc 0
22 mol 79 unq 10 iso 0 dist 9.05679 9.09458 4.08868 5.25584 8.96069 8.18375 numMergedOcc 0
23 mol 79 unq 11 iso 0 dist 4.93468 9.77084 6.69352 5.84075 8.33791 9.04293 numMergedOcc 0
24 mol 79 unq 12 iso 0 dist 4.93468 6.5551 6.0749 5.84075 8.33791 4.78333 numMergedOcc 0
25 mol 79 unq 13 iso 0 dist 4.93468 6.5551 6.0749 5.41884 7.38548 4.74254 numMergedOcc 0
26 mol 79 unq 14 iso 0 dist 4.93468 9.09458 6.06691 5.25584 7.56495 8.18375 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 9.66222 5.05893 11.0952 5.22259 9.07499 4.29937 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 9.66222 5.05893 11.0952 7.66499 10.671 5.37869 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 9.66222 5.71866 12.5181 5.22259 9.07499 3.65628 numMergedOcc 0
30 mol 85 unq 3 iso 0 dist 9.66222 5.71866 12.5181 7.66499 10.671 4.05415 numMergedOcc 0
31 mol 91 unq 0 iso 0 dist 8.66165 8.77355 10.6223 12.8723 13.4457 7.71625 numMergedOcc 0
32 mol 93 unq 0 iso 0 dist 8.74378 9.19977 11.7638 5.64998 12.5925 6.67678 numMergedOcc 0
33 mol 93 unq 1 iso 0 dist 8.74378 9.19977 11.7638 4.76749 12.4787 7.24956 numMergedOcc 0
34 mol 93 unq 2 iso 0 dist 8.74378 9.19977 11.7638 15.6931 19.9616 8.28591 numMergedOcc 0
35 mol 93 unq 3 iso 0 dist 8.74378 9.19977 11.7638 14.8662 20.4892 9.40687 numMergedOcc 0
36 mol 93 unq 4 iso 0 dist 8.89417 7.28831 11.7638 4.34681 12.5925 6.67678 numMergedOcc 0
37 mol 93 unq 5 iso 0 dist 8.89417 7.28831 11.7638 5.73248 12.4787 7.24956 numMergedOcc 0
38 mol 93 unq 6 iso 0 dist 8.89417 7.28831 11.7638 13.5809 19.9616 8.28591 numMergedOcc 0
39 mol 93 unq 7 iso 0 dist 8.89417 7.28831 11.7638 14.149 20.4892 9.40687 numMergedOcc 0
40 mol 93 unq 8 iso 0 dist 9.95255 7.28831 5.93472 4.34681 11.4623 6.67678 numMergedOcc 0
41 mol 93 unq 9 iso 0 dist 9.95255 7.28831 5.93472 5.73248 11.6044 7.24956 numMergedOcc 0
42 mol 93 unq 10 iso 0 dist 9.95255 7.28831 5.93472 13.5809 13.2775 8.28591 numMergedOcc 0
43 mol 93 unq 11 iso 0 dist 9.95255 7.28831 5.93472 14.149 14.6178 9.40687 numMergedOcc 0
44 mol 113 unq 0 iso 0 dist 6.6317 9.30645 9.74974 6.29259 10.6717 8.67025 numMergedOcc 0
45 mol 131 unq 0 iso 0 dist 5.87084 7.75314 6.11089 4.94367 8.47526 8.49847 numMergedOcc 0
46 mol 171 unq 0 iso 0 dist 5.25109 7.47964 11.4851 8.77204 13.0135 9.68512 numMergedOcc 0
47 mol 171 unq 1 iso 0 dist 8.21618 7.47964 12.9811 8.77204 16.5597 9.68512 numMergedOcc 0
48 mol 184 unq 0 iso 0 dist 7.54099 7.58375 4.67256 4.12242 7.02762 5.23187 numMergedOcc 0
49 mol 184 unq 1 iso 0 dist 7.54099 7.81263 7.81466 5.69882 10.6243 7.25623 numMergedOcc 0
50 mol 194 unq 0 iso 0 dist 6.1886 4.19371 4.002 3.7326 8.13022 4.45769 numMergedOcc 0
51 mol 194 unq 1 iso 0 dist 6.1886 4.19371 4.002 7.29209 9.82667 5.89939 numMergedOcc 0
52 mol 194 unq 2 iso 0 dist 6.1886 9.71015 7.09553 3.7326 8.13022 8.99961 numMergedOcc 0
53 mol 194 unq 3 iso 0 dist 6.1886 9.71015 7.09553 7.29209 9.82667 8.18853 numMergedOcc 0
54 mol 235 unq 0 iso 0 dist 6.94789 7.39085 14.2323 8.80447 13.9134 9.24564 numMergedOcc 0
55 mol 260 unq 0 iso 0 dist 9.32954 6.75725 9.07649 3.60349 12.8322 8.51564 numMergedOcc 0
56 mol 260 unq 1 iso 0 dist 9.32954 9.31888 9.46408 7.28821 9.24869 7.49606 numMergedOcc 0
