0 mol 5 unq 0 iso 0 dist 6.14476 4.70478 8.34817 13.9409 9.70883 13.2371 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.14476 4.70478 8.34817 4.97032 9.65565 3.24598 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.84216 4.10106 9.89425 11.0597 6.83186 12.0683 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 6.09002 7.06175 7.99756 5.47538 7.47395 4.7579 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 6.09002 3.79581 4.36087 5.47538 7.47395 3.21365 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 9.45756 12.3186 5.4713 9.26597 3.77542 6.08836 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 9.45756 12.3186 5.4713 4.60014 9.97314 14.1986 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.61521 4.09069 9.57759 10.5019 7.66068 9.50354 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 7.61521 4.09069 9.57759 13.3187 9.5043 12.0331 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 7.61521 4.09069 9.57759 10.3032 8.34132 9.2434 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 5.25027 5.80367 7.92114 3.83059 4.15789 4.69555 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 5.25027 10.1442 8.18375 3.83059 4.15789 6.49084 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.69926 6.92455 4.29937 6.35602 6.67137 3.65186 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 7.69926 6.92455 4.29937 13.5979 9.78707 12.2971 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.69926 7.01366 3.65628 6.35602 6.67137 7.00044 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 7.69926 7.01366 3.65628 13.5979 9.78707 8.64367 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 7.69926 14.8822 9.77774 6.35602 6.67137 16.1804 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 7.69926 14.8822 9.77774 13.5979 9.78707 3.21259 numMergedOcc 0
18 mol 85 unq 6 iso 0 dist 5.85237 6.92455 5.37869 3.88489 7.07839 10.0372 numMergedOcc 0
19 mol 85 unq 7 iso 0 dist 5.85237 6.92455 5.37869 7.33192 9.09711 11.8779 numMergedOcc 0
20 mol 85 unq 8 iso 0 dist 5.85237 6.92455 5.37869 6.35602 7.04244 3.65186 numMergedOcc 0
21 mol 85 unq 9 iso 0 dist 5.85237 6.92455 5.37869 5.78841 7.91193 11.7094 numMergedOcc 0
22 mol 85 unq 10 iso 0 dist 5.85237 6.92455 5.37869 13.5979 9.63449 12.2971 numMergedOcc 0
23 mol 85 unq 11 iso 0 dist 5.85237 7.01366 4.05415 3.88489 7.07839 8.78995 numMergedOcc 0
24 mol 85 unq 12 iso 0 dist 5.85237 7.01366 4.05415 7.33192 9.09711 12.4835 numMergedOcc 0
25 mol 85 unq 13 iso 0 dist 5.85237 7.01366 4.05415 6.35602 7.04244 7.00044 numMergedOcc 0
26 mol 85 unq 14 iso 0 dist 5.85237 7.01366 4.05415 5.78841 7.91193 10.7591 numMergedOcc 0
27 mol 85 unq 15 iso 0 dist 5.85237 7.01366 4.05415 13.5979 9.63449 8.64367 numMergedOcc 0
28 mol 85 unq 16 iso 0 dist 5.85237 14.8822 9.97944 3.88489 7.07839 14.2664 numMergedOcc 0
29 mol 85 unq 17 iso 0 dist 5.85237 14.8822 9.97944 7.33192 9.09711 17.9023 numMergedOcc 0
30 mol 85 unq 18 iso 0 dist 5.85237 14.8822 9.97944 6.35602 7.04244 16.1804 numMergedOcc 0
31 mol 85 unq 19 iso 0 dist 5.85237 14.8822 9.97944 5.78841 7.91193 15.1209 numMergedOcc 0
32 mol 85 unq 20 iso 0 dist 5.85237 14.8822 9.97944 13.5979 9.63449 3.21259 numMergedOcc 0
33 mol 85 unq 21 iso 0 dist 9.11768 8.32224 5.37869 9.22202 7.07839 10.0372 numMergedOcc 0
34 mol 85 unq 22 iso 0 dist 9.11768 8.32224 5.37869 10.5854 7.04244 3.65186 numMergedOcc 0
35 mol 85 unq 23 iso 0 dist 9.11768 8.32224 5.37869 12.2858 7.91193 11.7094 numMergedOcc 0
36 mol 85 unq 24 iso 0 dist 9.11768 8.32224 5.37869 10.0606 9.63449 12.2971 numMergedOcc 0
37 mol 85 unq 25 iso 0 dist 9.11768 8.32224 5.37869 15.5226 9.09711 11.8779 numMergedOcc 0
38 mol 85 unq 26 iso 0 dist 9.11768 6.15019 4.05415 9.22202 7.07839 8.78995 numMergedOcc 0
39 mol 85 unq 27 iso 0 dist 9.11768 6.15019 4.05415 10.5854 7.04244 7.00044 numMergedOcc 0
40 mol 85 unq 28 iso 0 dist 9.11768 6.15019 4.05415 12.2858 7.91193 10.7591 numMergedOcc 0
41 mol 85 unq 29 iso 0 dist 9.11768 6.15019 4.05415 10.0606 9.63449 8.64367 numMergedOcc 0
42 mol 85 unq 30 iso 0 dist 9.11768 6.15019 4.05415 15.5226 9.09711 12.4835 numMergedOcc 0
43 mol 85 unq 31 iso 0 dist 9.11768 12.6518 9.97944 9.22202 7.07839 14.2664 numMergedOcc 0
44 mol 85 unq 32 iso 0 dist 9.11768 12.6518 9.97944 10.5854 7.04244 16.1804 numMergedOcc 0
45 mol 85 unq 33 iso 0 dist 9.11768 12.6518 9.97944 12.2858 7.91193 15.1209 numMergedOcc 0
46 mol 85 unq 34 iso 0 dist 9.11768 12.6518 9.97944 10.0606 9.63449 3.21259 numMergedOcc 0
47 mol 85 unq 35 iso 0 dist 9.11768 12.6518 9.97944 15.5226 9.09711 17.9023 numMergedOcc 0
48 mol 107 unq 0 iso 0 dist 9.45682 10.1994 5.31375 17.9917 8.88124 9.65216 numMergedOcc 0
49 mol 107 unq 1 iso 0 dist 9.45682 10.1994 5.31375 11.8593 8.19484 8.32169 numMergedOcc 0
50 mol 107 unq 2 iso 0 dist 9.45682 12.9752 6.49371 17.9917 8.88124 10.4294 numMergedOcc 0
51 mol 107 unq 3 iso 0 dist 9.45682 12.9752 6.49371 11.8593 8.19484 3.40943 numMergedOcc 0
52 mol 113 unq 0 iso 0 dist 9.59585 5.70579 4.30875 5.37655 7.02358 3.52445 numMergedOcc 0
53 mol 115 unq 0 iso 0 dist 6.19918 4.03602 9.45013 4.18693 6.21029 7.30495 numMergedOcc 0
54 mol 115 unq 1 iso 0 dist 6.19918 4.03602 9.45013 7.41059 8.16325 9.57858 numMergedOcc 0
55 mol 116 unq 0 iso 0 dist 8.51123 3.87365 7.54274 5.49724 6.55227 3.43966 numMergedOcc 0
56 mol 120 unq 0 iso 0 dist 8.38358 7.64591 9.98772 9.4846 9.31385 3.28697 numMergedOcc 0
57 mol 120 unq 1 iso 0 dist 8.38358 7.64591 9.98772 3.824 6.98791 4.5296 numMergedOcc 0
58 mol 123 unq 0 iso 0 dist 8.111 4.1335 4.14492 12.2105 5.56127 8.42496 numMergedOcc 0
59 mol 123 unq 1 iso 0 dist 8.111 4.1335 4.14492 12.5368 8.03692 10.3919 numMergedOcc 0
60 mol 123 unq 2 iso 0 dist 8.111 4.1335 4.14492 6.21159 5.36214 3.3389 numMergedOcc 0
61 mol 143 unq 0 iso 0 dist 8.64905 7.39837 6.60366 9.14188 4.3855 5.94217 numMergedOcc 0
62 mol 147 unq 0 iso 0 dist 8.39897 8.57851 7.7464 7.06219 3.82583 5.19008 numMergedOcc 0
63 mol 147 unq 1 iso 0 dist 8.39897 8.57851 7.7464 4.19634 5.19116 5.27556 numMergedOcc 0
64 mol 147 unq 2 iso 0 dist 8.39897 10.5361 5.12272 7.06219 3.82583 3.7729 numMergedOcc 0
65 mol 147 unq 3 iso 0 dist 8.39897 10.5361 5.12272 4.19634 5.19116 6.34165 numMergedOcc 0
66 mol 147 unq 4 iso 0 dist 9.03078 9.14906 7.7464 6.04074 3.82583 5.19008 numMergedOcc 0
67 mol 147 unq 5 iso 0 dist 9.03078 9.14906 7.7464 6.24579 5.19116 5.27556 numMergedOcc 0
68 mol 147 unq 6 iso 0 dist 9.03078 8.88819 5.12272 6.04074 3.82583 3.7729 numMergedOcc 0
69 mol 147 unq 7 iso 0 dist 9.03078 8.88819 5.12272 6.24579 5.19116 6.34165 numMergedOcc 0
70 mol 168 unq 0 iso 0 dist 7.48734 4.67135 7.0961 3.42733 5.86767 6.06538 numMergedOcc 0
71 mol 168 unq 1 iso 0 dist 7.48734 4.67135 7.0961 8.91606 5.28353 10.919 numMergedOcc 0
72 mol 168 unq 2 iso 0 dist 7.48734 13.2594 8.21227 3.42733 5.86767 9.99868 numMergedOcc 0
73 mol 168 unq 3 iso 0 dist 7.48734 13.2594 8.21227 8.91606 5.28353 6.91388 numMergedOcc 0
74 mol 168 unq 4 iso 0 dist 7.48734 11.6594 6.53038 3.42733 5.86767 10.7133 numMergedOcc 0
75 mol 168 unq 5 iso 0 dist 7.48734 11.6594 6.53038 8.91606 5.28353 6.65321 numMergedOcc 0
76 mol 168 unq 6 iso 0 dist 5.6125 9.87321 7.0961 6.57536 5.86767 6.06538 numMergedOcc 0
77 mol 168 unq 7 iso 0 dist 5.6125 9.87321 7.0961 4.07587 5.28353 10.919 numMergedOcc 0
78 mol 168 unq 8 iso 0 dist 5.6125 10.7557 8.21227 6.57536 5.86767 9.99868 numMergedOcc 0
79 mol 168 unq 9 iso 0 dist 5.6125 10.7557 8.21227 4.07587 5.28353 6.91388 numMergedOcc 0
80 mol 168 unq 10 iso 0 dist 5.6125 5.16335 6.53038 6.57536 5.86767 10.7133 numMergedOcc 0
81 mol 168 unq 11 iso 0 dist 5.6125 5.16335 6.53038 4.07587 5.28353 6.65321 numMergedOcc 0
82 mol 169 unq 0 iso 0 dist 9.37946 5.7891 4.11374 5.38859 6.96715 3.59996 numMergedOcc 0
83 mol 186 unq 0 iso 0 dist 5.90765 3.90244 8.92135 12.1883 7.25595 14.4913 numMergedOcc 0
84 mol 186 unq 1 iso 0 dist 5.90765 3.90244 8.92135 6.89146 9.94825 5.43612 numMergedOcc 0
85 mol 194 unq 0 iso 0 dist 9.52922 10.0756 4.45769 12.8006 5.10542 9.23342 numMergedOcc 0
86 mol 194 unq 1 iso 0 dist 9.52922 16.4082 8.99961 12.8006 5.10542 11.7699 numMergedOcc 0
87 mol 194 unq 2 iso 0 dist 9.38984 13.9836 5.89939 11.6641 4.68722 9.23342 numMergedOcc 0
88 mol 194 unq 3 iso 0 dist 9.38984 13.9836 5.89939 7.3365 5.18325 10.3782 numMergedOcc 0
89 mol 194 unq 4 iso 0 dist 9.38984 13.9116 8.18853 11.6641 4.68722 11.7699 numMergedOcc 0
90 mol 194 unq 5 iso 0 dist 9.38984 13.9116 8.18853 7.3365 5.18325 13.0759 numMergedOcc 0
91 mol 194 unq 6 iso 0 dist 9.91118 15.5573 5.89939 10.0534 4.68722 9.23342 numMergedOcc 0
92 mol 194 unq 7 iso 0 dist 9.91118 15.5573 5.89939 6.3514 5.18325 10.3782 numMergedOcc 0
93 mol 194 unq 8 iso 0 dist 9.91118 16.1172 8.18853 10.0534 4.68722 11.7699 numMergedOcc 0
94 mol 194 unq 9 iso 0 dist 9.91118 16.1172 8.18853 6.3514 5.18325 13.0759 numMergedOcc 0
95 mol 256 unq 0 iso 0 dist 4.80903 6.30188 7.32564 6.73995 5.58222 4.96861 numMergedOcc 0
96 mol 277 unq 0 iso 0 dist 7.42932 4.40029 5.13533 14.2348 7.98956 10.5214 numMergedOcc 0
97 mol 277 unq 1 iso 0 dist 4.9764 3.97543 5.13533 7.75371 7.98956 10.5214 numMergedOcc 0
