0 mol 11 unq 0 iso 0 dist 6.84216 10.7734 9.81983 4.10106 9.89425 9.74251 11.0597 6.83186 6.51674 12.0683 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 5.25027 7.23157 6.2576 5.80367 7.92114 4.03842 3.83059 4.15789 4.37918 4.69555 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 5.25027 7.23157 6.2576 10.1442 8.18375 3.81317 3.83059 4.15789 4.37918 6.49084 numMergedOcc 0
3 mol 79 unq 2 iso 0 dist 5.25027 12.5946 8.96069 5.80367 7.92114 10.6312 3.83059 4.15789 9.08423 4.69555 numMergedOcc 0
4 mol 79 unq 3 iso 0 dist 5.25027 12.5946 8.96069 10.1442 8.18375 4.08868 3.83059 4.15789 9.08423 6.49084 numMergedOcc 0
5 mol 79 unq 4 iso 0 dist 5.25027 9.69296 7.56495 5.80367 7.92114 9.78235 3.83059 4.15789 6.29733 4.69555 numMergedOcc 0
6 mol 79 unq 5 iso 0 dist 5.25027 9.69296 7.56495 10.1442 8.18375 6.06691 3.83059 4.15789 6.29733 6.49084 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.69926 10.6804 9.13593 6.92455 4.29937 10.797 6.35602 6.67137 13.6534 3.65186 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 7.69926 10.6804 9.13593 6.92455 4.29937 10.797 13.5979 9.78707 3.93938 12.2971 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 7.69926 10.6804 9.13593 7.01366 3.65628 7.04693 6.35602 6.67137 13.6534 7.00044 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 7.69926 10.6804 9.13593 7.01366 3.65628 7.04693 13.5979 9.78707 3.93938 8.64367 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 7.69926 10.6804 9.13593 14.8822 9.77774 6.7475 6.35602 6.67137 13.6534 16.1804 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 7.69926 10.6804 9.13593 14.8822 9.77774 6.7475 13.5979 9.78707 3.93938 3.21259 numMergedOcc 0
13 mol 85 unq 6 iso 0 dist 5.85237 10.6804 8.25144 6.92455 5.37869 10.797 7.33192 9.09711 15.6454 11.8779 numMergedOcc 0
14 mol 85 unq 7 iso 0 dist 5.85237 10.6804 8.25144 6.92455 5.37869 10.797 6.35602 7.04244 13.6534 3.65186 numMergedOcc 0
15 mol 85 unq 8 iso 0 dist 5.85237 10.6804 8.25144 6.92455 5.37869 10.797 3.88489 7.07839 9.66391 10.0372 numMergedOcc 0
16 mol 85 unq 9 iso 0 dist 5.85237 10.6804 8.25144 6.92455 5.37869 10.797 13.5979 9.63449 3.93938 12.2971 numMergedOcc 0
17 mol 85 unq 10 iso 0 dist 5.85237 10.6804 8.25144 6.92455 5.37869 10.797 5.78841 7.91193 11.6517 11.7094 numMergedOcc 0
18 mol 85 unq 11 iso 0 dist 5.85237 10.6804 8.25144 7.01366 4.05415 7.04693 7.33192 9.09711 15.6454 12.4835 numMergedOcc 0
19 mol 85 unq 12 iso 0 dist 5.85237 10.6804 8.25144 7.01366 4.05415 7.04693 6.35602 7.04244 13.6534 7.00044 numMergedOcc 0
20 mol 85 unq 13 iso 0 dist 5.85237 10.6804 8.25144 7.01366 4.05415 7.04693 3.88489 7.07839 9.66391 8.78995 numMergedOcc 0
21 mol 85 unq 14 iso 0 dist 5.85237 10.6804 8.25144 7.01366 4.05415 7.04693 13.5979 9.63449 3.93938 8.64367 numMergedOcc 0
22 mol 85 unq 15 iso 0 dist 5.85237 10.6804 8.25144 7.01366 4.05415 7.04693 5.78841 7.91193 11.6517 10.7591 numMergedOcc 0
23 mol 85 unq 16 iso 0 dist 5.85237 10.6804 8.25144 14.8822 9.97944 6.7475 7.33192 9.09711 15.6454 17.9023 numMergedOcc 0
24 mol 85 unq 17 iso 0 dist 5.85237 10.6804 8.25144 14.8822 9.97944 6.7475 6.35602 7.04244 13.6534 16.1804 numMergedOcc 0
25 mol 85 unq 18 iso 0 dist 5.85237 10.6804 8.25144 14.8822 9.97944 6.7475 3.88489 7.07839 9.66391 14.2664 numMergedOcc 0
26 mol 85 unq 19 iso 0 dist 5.85237 10.6804 8.25144 14.8822 9.97944 6.7475 13.5979 9.63449 3.93938 3.21259 numMergedOcc 0
27 mol 85 unq 20 iso 0 dist 5.85237 10.6804 8.25144 14.8822 9.97944 6.7475 5.78841 7.91193 11.6517 15.1209 numMergedOcc 0
28 mol 85 unq 21 iso 0 dist 9.11768 6.85929 8.25144 8.32224 5.37869 10.797 10.5854 7.04244 13.6534 3.65186 numMergedOcc 0
29 mol 85 unq 22 iso 0 dist 9.11768 6.85929 8.25144 8.32224 5.37869 10.797 9.22202 7.07839 9.66391 10.0372 numMergedOcc 0
30 mol 85 unq 23 iso 0 dist 9.11768 6.85929 8.25144 8.32224 5.37869 10.797 10.0606 9.63449 3.93938 12.2971 numMergedOcc 0
31 mol 85 unq 24 iso 0 dist 9.11768 6.85929 8.25144 8.32224 5.37869 10.797 12.2858 7.91193 11.6517 11.7094 numMergedOcc 0
32 mol 85 unq 25 iso 0 dist 9.11768 6.85929 8.25144 8.32224 5.37869 10.797 15.5226 9.09711 15.6454 11.8779 numMergedOcc 0
33 mol 85 unq 26 iso 0 dist 9.11768 6.85929 8.25144 6.15019 4.05415 7.04693 10.5854 7.04244 13.6534 7.00044 numMergedOcc 0
34 mol 85 unq 27 iso 0 dist 9.11768 6.85929 8.25144 6.15019 4.05415 7.04693 9.22202 7.07839 9.66391 8.78995 numMergedOcc 0
35 mol 85 unq 28 iso 0 dist 9.11768 6.85929 8.25144 6.15019 4.05415 7.04693 10.0606 9.63449 3.93938 8.64367 numMergedOcc 0
36 mol 85 unq 29 iso 0 dist 9.11768 6.85929 8.25144 6.15019 4.05415 7.04693 12.2858 7.91193 11.6517 10.7591 numMergedOcc 0
37 mol 85 unq 30 iso 0 dist 9.11768 6.85929 8.25144 6.15019 4.05415 7.04693 15.5226 9.09711 15.6454 12.4835 numMergedOcc 0
38 mol 85 unq 31 iso 0 dist 9.11768 6.85929 8.25144 12.6518 9.97944 6.7475 10.5854 7.04244 13.6534 16.1804 numMergedOcc 0
39 mol 85 unq 32 iso 0 dist 9.11768 6.85929 8.25144 12.6518 9.97944 6.7475 9.22202 7.07839 9.66391 14.2664 numMergedOcc 0
40 mol 85 unq 33 iso 0 dist 9.11768 6.85929 8.25144 12.6518 9.97944 6.7475 10.0606 9.63449 3.93938 3.21259 numMergedOcc 0
41 mol 85 unq 34 iso 0 dist 9.11768 6.85929 8.25144 12.6518 9.97944 6.7475 12.2858 7.91193 11.6517 15.1209 numMergedOcc 0
42 mol 85 unq 35 iso 0 dist 9.11768 6.85929 8.25144 12.6518 9.97944 6.7475 15.5226 9.09711 15.6454 17.9023 numMergedOcc 0
43 mol 113 unq 0 iso 0 dist 9.59585 8.42718 5.35711 5.70579 4.30875 3.84573 5.37655 7.02358 3.52111 3.52445 numMergedOcc 0
44 mol 123 unq 0 iso 0 dist 8.111 14.0935 7.30244 4.1335 4.14492 10.9073 12.2105 5.56127 7.88813 8.42496 numMergedOcc 0
45 mol 123 unq 1 iso 0 dist 8.111 14.0935 7.30244 4.1335 4.14492 10.9073 12.5368 8.03692 4.10526 10.3919 numMergedOcc 0
46 mol 123 unq 2 iso 0 dist 8.111 14.0935 7.30244 4.1335 4.14492 10.9073 6.21159 5.36214 12.6384 3.3389 numMergedOcc 0
47 mol 143 unq 0 iso 0 dist 8.64905 10.4028 7.2932 7.39837 6.60366 4.06908 9.14188 4.3855 4.5497 5.94217 numMergedOcc 0
48 mol 168 unq 0 iso 0 dist 7.48734 11.7533 6.12453 4.67135 7.0961 12.6805 3.42733 5.86767 8.8681 6.06538 numMergedOcc 0
49 mol 168 unq 1 iso 0 dist 7.48734 11.7533 6.12453 4.67135 7.0961 12.6805 8.91606 5.28353 3.73181 10.919 numMergedOcc 0
50 mol 168 unq 2 iso 0 dist 7.48734 11.7533 6.12453 13.2594 8.21227 4.02702 3.42733 5.86767 8.8681 9.99868 numMergedOcc 0
51 mol 168 unq 3 iso 0 dist 7.48734 11.7533 6.12453 13.2594 8.21227 4.02702 8.91606 5.28353 3.73181 6.91388 numMergedOcc 0
52 mol 168 unq 4 iso 0 dist 7.48734 11.7533 6.12453 11.6594 6.53038 7.61798 3.42733 5.86767 8.8681 10.7133 numMergedOcc 0
53 mol 168 unq 5 iso 0 dist 7.48734 11.7533 6.12453 11.6594 6.53038 7.61798 8.91606 5.28353 3.73181 6.65321 numMergedOcc 0
54 mol 168 unq 6 iso 0 dist 5.6125 7.32989 6.12453 9.87321 7.0961 12.6805 6.57536 5.86767 8.8681 6.06538 numMergedOcc 0
55 mol 168 unq 7 iso 0 dist 5.6125 7.32989 6.12453 9.87321 7.0961 12.6805 4.07587 5.28353 3.73181 10.919 numMergedOcc 0
56 mol 168 unq 8 iso 0 dist 5.6125 7.32989 6.12453 10.7557 8.21227 4.02702 6.57536 5.86767 8.8681 9.99868 numMergedOcc 0
57 mol 168 unq 9 iso 0 dist 5.6125 7.32989 6.12453 10.7557 8.21227 4.02702 4.07587 5.28353 3.73181 6.91388 numMergedOcc 0
58 mol 168 unq 10 iso 0 dist 5.6125 7.32989 6.12453 5.16335 6.53038 7.61798 6.57536 5.86767 8.8681 10.7133 numMergedOcc 0
59 mol 168 unq 11 iso 0 dist 5.6125 7.32989 6.12453 5.16335 6.53038 7.61798 4.07587 5.28353 3.73181 6.65321 numMergedOcc 0
60 mol 169 unq 0 iso 0 dist 9.37946 8.6888 5.41121 5.7891 4.11374 3.95773 5.38859 6.96715 3.83687 3.59996 numMergedOcc 0
61 mol 186 unq 0 iso 0 dist 5.90765 8.98536 9.31569 3.90244 8.92135 10.6999 12.1883 7.25595 9.73374 14.4913 numMergedOcc 0
62 mol 186 unq 1 iso 0 dist 5.90765 8.98536 9.31569 3.90244 8.92135 10.6999 6.89146 9.94825 7.47658 5.43612 numMergedOcc 0
63 mol 186 unq 2 iso 0 dist 5.90765 7.30024 8.72743 3.90244 8.92135 6.18065 12.1883 7.25595 14.2269 14.4913 numMergedOcc 0
64 mol 186 unq 3 iso 0 dist 5.90765 7.30024 8.72743 3.90244 8.92135 6.18065 6.89146 9.94825 9.76301 5.43612 numMergedOcc 0
65 mol 256 unq 0 iso 0 dist 4.80903 5.28793 4.36333 6.30188 7.32564 4.10994 6.73995 5.58222 5.59732 4.96861 numMergedOcc 0
66 mol 256 unq 1 iso 0 dist 4.80903 4.99672 6.96483 6.30188 7.32564 3.90666 6.73995 5.58222 3.96807 4.96861 numMergedOcc 0
