0 mol 60 unq 0 iso 0 dist 5.83937 6.62193 6.65595 10.9885 9.25011 4.73512 9.96073 6.43294 10.6819 11.3621 10.9217 6.54743 8.90863 10.0828 11.5843 numMergedOcc 0
1 mol 60 unq 0 iso 1 dist 5.83937 6.62193 6.65595 9.96073 6.43294 10.6819 10.9885 9.25011 4.73512 11.3621 10.9217 6.54743 8.90863 11.5843 10.0828 numMergedOcc 0
2 mol 60 unq 1 iso 0 dist 5.83937 6.62193 6.65595 10.9885 9.25011 4.73512 11.2445 8.52121 8.93946 7.66664 10.9217 6.54743 8.90863 10.0828 12.4757 numMergedOcc 0
3 mol 60 unq 1 iso 1 dist 5.83937 6.62193 6.65595 11.2445 8.52121 8.93946 10.9885 9.25011 4.73512 7.66664 10.9217 6.54743 8.90863 12.4757 10.0828 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 5.83937 6.62193 6.65595 9.96073 6.43294 10.6819 11.2445 8.52121 8.93946 5.51199 10.9217 6.54743 8.90863 11.5843 12.4757 numMergedOcc 0
5 mol 60 unq 1 iso 1 dist 5.83937 6.62193 6.65595 11.2445 8.52121 8.93946 9.96073 6.43294 10.6819 5.51199 10.9217 6.54743 8.90863 12.4757 11.5843 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 5.83937 9.96073 6.43294 6.62193 6.65595 10.6819 10.9885 9.25011 11.3621 4.73512 14.8574 10.1562 8.33063 16.4714 17.3965 numMergedOcc 0
7 mol 60 unq 2 iso 1 dist 5.83937 9.96073 6.43294 10.9885 9.25011 11.3621 6.62193 6.65595 10.6819 4.73512 14.8574 10.1562 8.33063 17.3965 16.4714 numMergedOcc 0
8 mol 60 unq 3 iso 0 dist 5.83937 9.96073 6.43294 6.62193 6.65595 10.6819 10.9885 9.25011 11.3621 4.73512 11.1212 5.67502 8.7531 11.1899 12.4656 numMergedOcc 0
9 mol 60 unq 3 iso 1 dist 5.83937 9.96073 6.43294 10.9885 9.25011 11.3621 6.62193 6.65595 10.6819 4.73512 11.1212 5.67502 8.7531 12.4656 11.1899 numMergedOcc 0
10 mol 60 unq 4 iso 0 dist 5.83937 9.96073 6.43294 6.62193 6.65595 10.6819 11.2445 8.52121 5.51199 8.93946 14.8574 10.1562 8.33063 16.4714 13.1051 numMergedOcc 0
11 mol 60 unq 4 iso 1 dist 5.83937 9.96073 6.43294 11.2445 8.52121 5.51199 6.62193 6.65595 10.6819 8.93946 14.8574 10.1562 8.33063 13.1051 16.4714 numMergedOcc 0
12 mol 60 unq 5 iso 0 dist 5.83937 9.96073 6.43294 6.62193 6.65595 10.6819 11.2445 8.52121 5.51199 8.93946 11.1212 5.67502 8.7531 11.1899 11.6311 numMergedOcc 0
13 mol 60 unq 5 iso 1 dist 5.83937 9.96073 6.43294 11.2445 8.52121 5.51199 6.62193 6.65595 10.6819 8.93946 11.1212 5.67502 8.7531 11.6311 11.1899 numMergedOcc 0
14 mol 60 unq 4 iso 0 dist 5.83937 9.96073 6.43294 10.9885 9.25011 11.3621 11.2445 8.52121 5.51199 7.66664 14.8574 10.1562 8.33063 17.3965 13.1051 numMergedOcc 0
15 mol 60 unq 4 iso 1 dist 5.83937 9.96073 6.43294 11.2445 8.52121 5.51199 10.9885 9.25011 11.3621 7.66664 14.8574 10.1562 8.33063 13.1051 17.3965 numMergedOcc 0
16 mol 60 unq 5 iso 0 dist 5.83937 9.96073 6.43294 10.9885 9.25011 11.3621 11.2445 8.52121 5.51199 7.66664 11.1212 5.67502 8.7531 12.4656 11.6311 numMergedOcc 0
17 mol 60 unq 5 iso 1 dist 5.83937 9.96073 6.43294 11.2445 8.52121 5.51199 10.9885 9.25011 11.3621 7.66664 11.1212 5.67502 8.7531 11.6311 12.4656 numMergedOcc 0
18 mol 60 unq 6 iso 0 dist 8.82095 5.63638 6.65595 5.95814 9.25011 4.73512 13.6099 6.43294 10.6819 11.3621 6.27749 6.54743 8.90863 10.0828 11.5843 numMergedOcc 0
19 mol 60 unq 6 iso 1 dist 8.82095 5.63638 6.65595 13.6099 6.43294 10.6819 5.95814 9.25011 4.73512 11.3621 6.27749 6.54743 8.90863 11.5843 10.0828 numMergedOcc 0
20 mol 60 unq 7 iso 0 dist 8.82095 5.63638 6.65595 5.95814 9.25011 4.73512 12.0142 8.52121 8.93946 7.66664 6.27749 6.54743 8.90863 10.0828 12.4757 numMergedOcc 0
21 mol 60 unq 7 iso 1 dist 8.82095 5.63638 6.65595 12.0142 8.52121 8.93946 5.95814 9.25011 4.73512 7.66664 6.27749 6.54743 8.90863 12.4757 10.0828 numMergedOcc 0
22 mol 60 unq 7 iso 0 dist 8.82095 5.63638 6.65595 13.6099 6.43294 10.6819 12.0142 8.52121 8.93946 5.51199 6.27749 6.54743 8.90863 11.5843 12.4757 numMergedOcc 0
23 mol 60 unq 7 iso 1 dist 8.82095 5.63638 6.65595 12.0142 8.52121 8.93946 13.6099 6.43294 10.6819 5.51199 6.27749 6.54743 8.90863 12.4757 11.5843 numMergedOcc 0
24 mol 60 unq 8 iso 0 dist 8.82095 13.6099 6.43294 5.63638 6.65595 10.6819 5.95814 9.25011 11.3621 4.73512 17.2674 10.1562 8.33063 16.4714 17.3965 numMergedOcc 0
25 mol 60 unq 8 iso 1 dist 8.82095 13.6099 6.43294 5.95814 9.25011 11.3621 5.63638 6.65595 10.6819 4.73512 17.2674 10.1562 8.33063 17.3965 16.4714 numMergedOcc 0
26 mol 60 unq 9 iso 0 dist 8.82095 13.6099 6.43294 5.63638 6.65595 10.6819 5.95814 9.25011 11.3621 4.73512 10.5768 5.67502 8.7531 11.1899 12.4656 numMergedOcc 0
27 mol 60 unq 9 iso 1 dist 8.82095 13.6099 6.43294 5.95814 9.25011 11.3621 5.63638 6.65595 10.6819 4.73512 10.5768 5.67502 8.7531 12.4656 11.1899 numMergedOcc 0
28 mol 60 unq 10 iso 0 dist 8.82095 13.6099 6.43294 5.63638 6.65595 10.6819 12.0142 8.52121 5.51199 8.93946 17.2674 10.1562 8.33063 16.4714 13.1051 numMergedOcc 0
29 mol 60 unq 10 iso 1 dist 8.82095 13.6099 6.43294 12.0142 8.52121 5.51199 5.63638 6.65595 10.6819 8.93946 17.2674 10.1562 8.33063 13.1051 16.4714 numMergedOcc 0
30 mol 60 unq 11 iso 0 dist 8.82095 13.6099 6.43294 5.63638 6.65595 10.6819 12.0142 8.52121 5.51199 8.93946 10.5768 5.67502 8.7531 11.1899 11.6311 numMergedOcc 0
31 mol 60 unq 11 iso 1 dist 8.82095 13.6099 6.43294 12.0142 8.52121 5.51199 5.63638 6.65595 10.6819 8.93946 10.5768 5.67502 8.7531 11.6311 11.1899 numMergedOcc 0
32 mol 60 unq 10 iso 0 dist 8.82095 13.6099 6.43294 5.95814 9.25011 11.3621 12.0142 8.52121 5.51199 7.66664 17.2674 10.1562 8.33063 17.3965 13.1051 numMergedOcc 0
33 mol 60 unq 10 iso 1 dist 8.82095 13.6099 6.43294 12.0142 8.52121 5.51199 5.95814 9.25011 11.3621 7.66664 17.2674 10.1562 8.33063 13.1051 17.3965 numMergedOcc 0
34 mol 60 unq 11 iso 0 dist 8.82095 13.6099 6.43294 5.95814 9.25011 11.3621 12.0142 8.52121 5.51199 7.66664 10.5768 5.67502 8.7531 12.4656 11.6311 numMergedOcc 0
35 mol 60 unq 11 iso 1 dist 8.82095 13.6099 6.43294 12.0142 8.52121 5.51199 5.95814 9.25011 11.3621 7.66664 10.5768 5.67502 8.7531 11.6311 12.4656 numMergedOcc 0
36 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 5.2774 6.19304 5.4148 13.9156 8.70481 14.9342 13.3558 11.7436 15.7123 9.38498 10.2049 20.257 numMergedOcc 0
37 mol 73 unq 0 iso 1 dist 6.89722 10.4716 9.96396 13.9156 8.70481 14.9342 5.2774 6.19304 5.4148 13.3558 11.7436 15.7123 9.38498 20.257 10.2049 numMergedOcc 0
38 mol 73 unq 1 iso 0 dist 6.89722 10.4716 9.96396 5.2774 6.19304 5.4148 13.9156 8.70481 14.9342 13.3558 14.4206 12.016 9.75218 11.6369 10.1207 numMergedOcc 0
39 mol 73 unq 1 iso 1 dist 6.89722 10.4716 9.96396 13.9156 8.70481 14.9342 5.2774 6.19304 5.4148 13.3558 14.4206 12.016 9.75218 10.1207 11.6369 numMergedOcc 0
40 mol 73 unq 2 iso 0 dist 7.26679 8.31041 9.96396 5.44275 6.19304 5.4148 11.2674 8.70481 14.9342 13.3558 9.68526 15.7123 9.38498 10.2049 20.257 numMergedOcc 0
41 mol 73 unq 2 iso 1 dist 7.26679 8.31041 9.96396 11.2674 8.70481 14.9342 5.44275 6.19304 5.4148 13.3558 9.68526 15.7123 9.38498 20.257 10.2049 numMergedOcc 0
42 mol 73 unq 3 iso 0 dist 7.26679 8.31041 9.96396 5.44275 6.19304 5.4148 11.2674 8.70481 14.9342 13.3558 9.30776 12.016 9.75218 11.6369 10.1207 numMergedOcc 0
43 mol 73 unq 3 iso 1 dist 7.26679 8.31041 9.96396 11.2674 8.70481 14.9342 5.44275 6.19304 5.4148 13.3558 9.30776 12.016 9.75218 10.1207 11.6369 numMergedOcc 0
44 mol 117 unq 0 iso 0 dist 9.85576 10.4589 7.90328 14.2649 7.83136 7.22206 9.53886 7.0603 9.3584 7.21564 12.1493 13.1058 9.84395 16.5575 17.163 numMergedOcc 0
45 mol 117 unq 0 iso 1 dist 9.85576 10.4589 7.90328 9.53886 7.0603 9.3584 14.2649 7.83136 7.22206 7.21564 12.1493 13.1058 9.84395 17.163 16.5575 numMergedOcc 0
46 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 12.288 7.73169 5.50998 14.2067 8.96657 11.1395 5.92693 10.5524 5.32922 5.31024 7.26382 11.0824 numMergedOcc 0
47 mol 142 unq 0 iso 1 dist 7.57458 13.1936 9.2313 14.2067 8.96657 11.1395 12.288 7.73169 5.50998 5.92693 10.5524 5.32922 5.31024 11.0824 7.26382 numMergedOcc 0
48 mol 142 unq 1 iso 0 dist 7.57458 12.288 7.73169 13.1936 9.2313 5.50998 14.2067 8.96657 5.92693 11.1395 10.5524 5.32922 7.26382 5.31024 11.0824 numMergedOcc 0
49 mol 142 unq 1 iso 1 dist 7.57458 12.288 7.73169 14.2067 8.96657 5.92693 13.1936 9.2313 5.50998 11.1395 10.5524 5.32922 7.26382 11.0824 5.31024 numMergedOcc 0
50 mol 152 unq 0 iso 0 dist 9.10619 13.9994 6.70283 9.66339 8.56324 7.65448 14.2552 7.16148 5.49936 10.6875 13.6844 5.42328 5.87555 10.399 8.87437 numMergedOcc 0
51 mol 152 unq 0 iso 1 dist 9.10619 13.9994 6.70283 14.2552 7.16148 5.49936 9.66339 8.56324 7.65448 10.6875 13.6844 5.42328 5.87555 8.87437 10.399 numMergedOcc 0
52 mol 152 unq 1 iso 0 dist 9.10619 13.9994 6.70283 9.66339 8.56324 7.65448 14.2552 7.16148 5.49936 10.6875 15.1988 6.4896 8.67331 14.1618 8.05741 numMergedOcc 0
53 mol 152 unq 1 iso 1 dist 9.10619 13.9994 6.70283 14.2552 7.16148 5.49936 9.66339 8.56324 7.65448 10.6875 15.1988 6.4896 8.67331 8.05741 14.1618 numMergedOcc 0
54 mol 152 unq 2 iso 0 dist 9.10619 14.2552 7.16148 9.66339 8.56324 10.6875 13.9994 6.70283 5.49936 7.65448 13.6844 5.42328 8.87437 10.399 5.87555 numMergedOcc 0
55 mol 152 unq 2 iso 1 dist 9.10619 14.2552 7.16148 13.9994 6.70283 5.49936 9.66339 8.56324 10.6875 7.65448 13.6844 5.42328 8.87437 5.87555 10.399 numMergedOcc 0
56 mol 152 unq 3 iso 0 dist 9.10619 14.2552 7.16148 9.66339 8.56324 10.6875 13.9994 6.70283 5.49936 7.65448 15.1988 6.4896 8.05741 14.1618 8.67331 numMergedOcc 0
57 mol 152 unq 3 iso 1 dist 9.10619 14.2552 7.16148 13.9994 6.70283 5.49936 9.66339 8.56324 10.6875 7.65448 15.1988 6.4896 8.05741 8.67331 14.1618 numMergedOcc 0
58 mol 156 unq 0 iso 0 dist 7.30021 5.75141 8.94056 5.0966 7.44554 5.56175 12.865 9.83699 11.2719 8.38403 10.6034 10.1658 7.66148 12.0598 15.1382 numMergedOcc 0
59 mol 156 unq 0 iso 1 dist 7.30021 5.75141 8.94056 12.865 9.83699 11.2719 5.0966 7.44554 5.56175 8.38403 10.6034 10.1658 7.66148 15.1382 12.0598 numMergedOcc 0
60 mol 175 unq 0 iso 0 dist 8.69888 11.5099 9.0018 5.50014 5.6234 6.2715 7.39186 6.57069 8.16421 5.35493 14.9263 7.42466 7.652 9.92231 10.2623 numMergedOcc 0
61 mol 175 unq 0 iso 1 dist 8.69888 11.5099 9.0018 7.39186 6.57069 8.16421 5.50014 5.6234 6.2715 5.35493 14.9263 7.42466 7.652 10.2623 9.92231 numMergedOcc 0
62 mol 175 unq 1 iso 0 dist 8.69888 5.50014 5.6234 11.5099 9.0018 6.2715 7.39186 6.57069 5.35493 8.16421 14.9263 7.42466 9.92231 7.652 10.2623 numMergedOcc 0
63 mol 175 unq 1 iso 1 dist 8.69888 5.50014 5.6234 7.39186 6.57069 5.35493 11.5099 9.0018 6.2715 8.16421 14.9263 7.42466 9.92231 10.2623 7.652 numMergedOcc 0
64 mol 175 unq 2 iso 0 dist 5.08206 12.1783 9.0018 7.28617 5.6234 6.2715 5.77256 6.57069 8.16421 5.35493 11.7895 7.42466 7.652 9.92231 10.2623 numMergedOcc 0
65 mol 175 unq 2 iso 1 dist 5.08206 12.1783 9.0018 5.77256 6.57069 8.16421 7.28617 5.6234 6.2715 5.35493 11.7895 7.42466 7.652 10.2623 9.92231 numMergedOcc 0
66 mol 175 unq 3 iso 0 dist 5.08206 7.28617 5.6234 12.1783 9.0018 6.2715 5.77256 6.57069 5.35493 8.16421 11.7895 7.42466 9.92231 7.652 10.2623 numMergedOcc 0
67 mol 175 unq 3 iso 1 dist 5.08206 7.28617 5.6234 5.77256 6.57069 5.35493 12.1783 9.0018 6.2715 8.16421 11.7895 7.42466 9.92231 10.2623 7.652 numMergedOcc 0
68 mol 224 unq 0 iso 0 dist 9.33771 4.91322 6.57273 5.41021 8.95269 4.70378 12.979 5.78342 8.49799 11.5372 7.39839 5.0744 6.60589 9.99123 9.16166 numMergedOcc 0
69 mol 224 unq 0 iso 1 dist 9.33771 4.91322 6.57273 12.979 5.78342 8.49799 5.41021 8.95269 4.70378 11.5372 7.39839 5.0744 6.60589 9.16166 9.99123 numMergedOcc 0
70 mol 224 unq 1 iso 0 dist 9.33771 12.979 5.78342 5.41021 8.95269 11.5372 4.91322 6.57273 8.49799 4.70378 7.39839 5.0744 9.16166 9.99123 6.60589 numMergedOcc 0
71 mol 224 unq 1 iso 1 dist 9.33771 12.979 5.78342 4.91322 6.57273 8.49799 5.41021 8.95269 11.5372 4.70378 7.39839 5.0744 9.16166 6.60589 9.99123 numMergedOcc 0
72 mol 224 unq 2 iso 0 dist 9.33771 12.979 5.78342 5.41021 8.95269 11.5372 4.91322 6.57273 8.49799 4.70378 13.527 5.60236 5.81334 14.0676 10.5128 numMergedOcc 0
73 mol 224 unq 2 iso 1 dist 9.33771 12.979 5.78342 4.91322 6.57273 8.49799 5.41021 8.95269 11.5372 4.70378 13.527 5.60236 5.81334 10.5128 14.0676 numMergedOcc 0
74 mol 224 unq 3 iso 0 dist 7.39839 4.91322 6.60589 7.65225 6.65832 6.77699 12.979 9.16166 8.49799 11.328 9.33771 5.0744 6.57273 10.103 5.78342 numMergedOcc 0
75 mol 224 unq 3 iso 1 dist 7.39839 4.91322 6.60589 12.979 9.16166 8.49799 7.65225 6.65832 6.77699 11.328 9.33771 5.0744 6.57273 5.78342 10.103 numMergedOcc 0
76 mol 224 unq 4 iso 0 dist 7.39839 12.979 9.16166 7.65225 6.65832 11.328 4.91322 6.60589 8.49799 6.77699 9.33771 5.0744 5.78342 10.103 6.57273 numMergedOcc 0
77 mol 224 unq 4 iso 1 dist 7.39839 12.979 9.16166 4.91322 6.60589 8.49799 7.65225 6.65832 11.328 6.77699 9.33771 5.0744 5.78342 6.57273 10.103 numMergedOcc 0
78 mol 224 unq 5 iso 0 dist 7.39839 12.979 9.16166 7.65225 6.65832 11.328 4.91322 6.60589 8.49799 6.77699 13.527 6.91102 5.81334 10.9745 10.5128 numMergedOcc 0
79 mol 224 unq 5 iso 1 dist 7.39839 12.979 9.16166 4.91322 6.60589 8.49799 7.65225 6.65832 11.328 6.77699 13.527 6.91102 5.81334 10.5128 10.9745 numMergedOcc 0
80 mol 224 unq 6 iso 0 dist 9.29703 4.8786 5.78342 7.18448 9.16166 5.0744 6.38066 5.81334 5.60236 6.91102 12.8171 11.5372 8.95269 9.99123 14.0676 numMergedOcc 0
81 mol 224 unq 6 iso 1 dist 9.29703 4.8786 5.78342 6.38066 5.81334 5.60236 7.18448 9.16166 5.0744 6.91102 12.8171 11.5372 8.95269 14.0676 9.99123 numMergedOcc 0
82 mol 224 unq 7 iso 0 dist 9.29703 4.8786 5.78342 7.18448 9.16166 5.0744 6.38066 5.81334 5.60236 6.91102 11.1052 8.49799 6.57273 6.60589 10.5128 numMergedOcc 0
83 mol 224 unq 7 iso 1 dist 9.29703 4.8786 5.78342 6.38066 5.81334 5.60236 7.18448 9.16166 5.0744 6.91102 11.1052 8.49799 6.57273 10.5128 6.60589 numMergedOcc 0
84 mol 224 unq 8 iso 0 dist 9.29703 7.18448 9.16166 4.8786 5.78342 5.0744 6.38066 5.81334 6.91102 5.60236 13.5897 11.328 6.65832 10.103 10.9745 numMergedOcc 0
85 mol 224 unq 8 iso 1 dist 9.29703 7.18448 9.16166 6.38066 5.81334 6.91102 4.8786 5.78342 5.0744 5.60236 13.5897 11.328 6.65832 10.9745 10.103 numMergedOcc 0
86 mol 224 unq 9 iso 0 dist 9.29703 7.18448 9.16166 4.8786 5.78342 5.0744 6.38066 5.81334 6.91102 5.60236 11.1052 8.49799 6.60589 6.57273 10.5128 numMergedOcc 0
87 mol 224 unq 9 iso 1 dist 9.29703 7.18448 9.16166 6.38066 5.81334 6.91102 4.8786 5.78342 5.0744 5.60236 11.1052 8.49799 6.60589 10.5128 6.57273 numMergedOcc 0
88 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 13.2783 8.65997 5.22356 7.60506 13.0242 4.39704 7.09863 10.4905 10.8157 numMergedOcc 0
89 mol 227 unq 0 iso 1 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 16.2594 9.34734 6.99063 7.60506 13.0242 4.39704 7.09863 10.8157 10.4905 numMergedOcc 0
90 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 10.6504 7.56888 10.8658 7.43198 13.0242 4.39704 7.09863 10.4905 11.0431 numMergedOcc 0
91 mol 227 unq 1 iso 1 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 16.2594 9.34734 6.99063 7.43198 13.0242 4.39704 7.09863 11.0431 10.4905 numMergedOcc 0
92 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 11.4528 7.55216 12.4689 9.51866 13.0242 4.39704 7.09863 10.4905 10.0334 numMergedOcc 0
93 mol 227 unq 2 iso 1 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 16.2594 9.34734 6.99063 9.51866 13.0242 4.39704 7.09863 10.0334 10.4905 numMergedOcc 0
94 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 10.6504 7.56888 10.8658 9.70012 13.0242 4.39704 7.09863 10.8157 11.0431 numMergedOcc 0
95 mol 227 unq 1 iso 1 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 13.2783 8.65997 5.22356 9.70012 13.0242 4.39704 7.09863 11.0431 10.8157 numMergedOcc 0
96 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 11.4528 7.55216 12.4689 12.9332 13.0242 4.39704 7.09863 10.8157 10.0334 numMergedOcc 0
97 mol 227 unq 2 iso 1 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 13.2783 8.65997 5.22356 12.9332 13.0242 4.39704 7.09863 10.0334 10.8157 numMergedOcc 0
98 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 11.4528 7.55216 12.4689 4.48529 13.0242 4.39704 7.09863 11.0431 10.0334 numMergedOcc 0
99 mol 227 unq 2 iso 1 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 10.6504 7.56888 10.8658 4.48529 13.0242 4.39704 7.09863 10.0334 11.0431 numMergedOcc 0
100 mol 252 unq 0 iso 0 dist 9.73021 16.5881 8.33025 12.5855 9.2288 8.41807 5.26867 7.19638 14.9102 11.7918 9.89226 6.0987 8.1148 8.1715 10.5136 numMergedOcc 0
101 mol 252 unq 0 iso 1 dist 9.73021 16.5881 8.33025 5.26867 7.19638 14.9102 12.5855 9.2288 8.41807 11.7918 9.89226 6.0987 8.1148 10.5136 8.1715 numMergedOcc 0
102 mol 252 unq 1 iso 0 dist 9.73021 12.5855 9.2288 16.5881 8.33025 8.41807 5.26867 7.19638 11.7918 14.9102 9.89226 6.0987 8.1715 8.1148 10.5136 numMergedOcc 0
103 mol 252 unq 1 iso 1 dist 9.73021 12.5855 9.2288 5.26867 7.19638 11.7918 16.5881 8.33025 8.41807 14.9102 9.89226 6.0987 8.1715 10.5136 8.1148 numMergedOcc 0
104 mol 259 unq 0 iso 0 dist 9.58006 5.71237 7.88519 9.10984 7.84554 4.86771 11.8501 7.46176 6.96053 7.64658 6.77279 4.69778 8.13497 9.95973 10.3935 numMergedOcc 0
105 mol 259 unq 0 iso 1 dist 9.58006 5.71237 7.88519 11.8501 7.46176 6.96053 9.10984 7.84554 4.86771 7.64658 6.77279 4.69778 8.13497 10.3935 9.95973 numMergedOcc 0
106 mol 259 unq 1 iso 0 dist 9.58006 5.71237 7.88519 9.10984 7.84554 4.86771 13.9868 9.18903 10.4881 5.87173 6.77279 4.69778 8.13497 9.95973 12.6839 numMergedOcc 0
107 mol 259 unq 1 iso 1 dist 9.58006 5.71237 7.88519 13.9868 9.18903 10.4881 9.10984 7.84554 4.86771 5.87173 6.77279 4.69778 8.13497 12.6839 9.95973 numMergedOcc 0
108 mol 259 unq 1 iso 0 dist 9.58006 5.71237 7.88519 11.8501 7.46176 6.96053 13.9868 9.18903 10.4881 10.5239 6.77279 4.69778 8.13497 10.3935 12.6839 numMergedOcc 0
109 mol 259 unq 1 iso 1 dist 9.58006 5.71237 7.88519 13.9868 9.18903 10.4881 11.8501 7.46176 6.96053 10.5239 6.77279 4.69778 8.13497 12.6839 10.3935 numMergedOcc 0
