0 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 9.48085 5.18617 5.68041 10.9391 12.7009 12.8117 9.49421 6.08585 8.50222 7.55264 6.53269 5.77929 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 9.48085 5.68041 5.18617 10.9391 12.8117 12.7009 9.49421 6.08585 7.55264 8.50222 6.53269 5.77929 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 9.48085 5.18617 5.68041 10.9391 12.7009 12.8117 9.49421 9.15781 12.4659 10.3593 9.81524 6.68639 numMergedOcc 0
3 mol 25 unq 1 iso 1 dist 7.17969 7.57578 4.33106 9.48085 5.68041 5.18617 10.9391 12.8117 12.7009 9.49421 9.15781 10.3593 12.4659 9.81524 6.68639 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 6.65595 9.25011 4.73512 7.57295 7.80499 5.6397 5.67502 11.1899 12.4656 8.4312 9.49968 12.1928 11.3973 6.63448 5.94827 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 9.25011 6.65595 4.73512 7.57295 5.6397 7.80499 5.67502 12.4656 11.1899 8.4312 9.49968 11.3973 12.1928 6.63448 5.94827 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 6.65595 9.25011 4.73512 7.57295 7.80499 5.6397 6.54743 8.90863 10.0828 7.48086 9.49968 12.1928 11.3973 6.63448 5.32257 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 9.25011 6.65595 4.73512 7.57295 5.6397 7.80499 6.54743 10.0828 8.90863 7.48086 9.49968 11.3973 12.1928 6.63448 5.32257 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 6.65595 6.43294 10.6819 7.57295 7.80499 8.62476 5.67502 11.1899 8.7531 8.4312 9.49968 12.1928 11.816 6.63448 5.94827 numMergedOcc 0
9 mol 60 unq 2 iso 1 dist 6.43294 6.65595 10.6819 7.57295 8.62476 7.80499 5.67502 8.7531 11.1899 8.4312 9.49968 11.816 12.1928 6.63448 5.94827 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 6.65595 6.43294 10.6819 7.57295 7.80499 8.62476 6.54743 8.90863 11.5843 7.48086 9.49968 12.1928 11.816 6.63448 5.32257 numMergedOcc 0
11 mol 60 unq 3 iso 1 dist 6.43294 6.65595 10.6819 7.57295 8.62476 7.80499 6.54743 11.5843 8.90863 7.48086 9.49968 11.816 12.1928 6.63448 5.32257 numMergedOcc 0
12 mol 60 unq 4 iso 0 dist 6.65595 8.52121 8.93946 7.57295 7.80499 6.55502 5.67502 11.1899 11.6311 8.4312 9.49968 12.1928 12.3484 6.63448 5.94827 numMergedOcc 0
13 mol 60 unq 4 iso 1 dist 8.52121 6.65595 8.93946 7.57295 6.55502 7.80499 5.67502 11.6311 11.1899 8.4312 9.49968 12.3484 12.1928 6.63448 5.94827 numMergedOcc 0
14 mol 60 unq 5 iso 0 dist 6.65595 8.52121 8.93946 7.57295 7.80499 6.55502 6.54743 8.90863 12.4757 7.48086 9.49968 12.1928 12.3484 6.63448 5.32257 numMergedOcc 0
15 mol 60 unq 5 iso 1 dist 8.52121 6.65595 8.93946 7.57295 6.55502 7.80499 6.54743 12.4757 8.90863 7.48086 9.49968 12.3484 12.1928 6.63448 5.32257 numMergedOcc 0
16 mol 60 unq 2 iso 0 dist 9.25011 6.43294 11.3621 7.57295 5.6397 8.62476 5.67502 12.4656 8.7531 8.4312 9.49968 11.3973 11.816 6.63448 5.94827 numMergedOcc 0
17 mol 60 unq 2 iso 1 dist 6.43294 9.25011 11.3621 7.57295 8.62476 5.6397 5.67502 8.7531 12.4656 8.4312 9.49968 11.816 11.3973 6.63448 5.94827 numMergedOcc 0
18 mol 60 unq 3 iso 0 dist 9.25011 6.43294 11.3621 7.57295 5.6397 8.62476 6.54743 10.0828 11.5843 7.48086 9.49968 11.3973 11.816 6.63448 5.32257 numMergedOcc 0
19 mol 60 unq 3 iso 1 dist 6.43294 9.25011 11.3621 7.57295 8.62476 5.6397 6.54743 11.5843 10.0828 7.48086 9.49968 11.816 11.3973 6.63448 5.32257 numMergedOcc 0
20 mol 60 unq 4 iso 0 dist 9.25011 8.52121 7.66664 7.57295 5.6397 6.55502 5.67502 12.4656 11.6311 8.4312 9.49968 11.3973 12.3484 6.63448 5.94827 numMergedOcc 0
21 mol 60 unq 4 iso 1 dist 8.52121 9.25011 7.66664 7.57295 6.55502 5.6397 5.67502 11.6311 12.4656 8.4312 9.49968 12.3484 11.3973 6.63448 5.94827 numMergedOcc 0
22 mol 60 unq 5 iso 0 dist 9.25011 8.52121 7.66664 7.57295 5.6397 6.55502 6.54743 10.0828 12.4757 7.48086 9.49968 11.3973 12.3484 6.63448 5.32257 numMergedOcc 0
23 mol 60 unq 5 iso 1 dist 8.52121 9.25011 7.66664 7.57295 6.55502 5.6397 6.54743 12.4757 10.0828 7.48086 9.49968 12.3484 11.3973 6.63448 5.32257 numMergedOcc 0
24 mol 60 unq 4 iso 0 dist 6.43294 8.52121 5.51199 7.57295 8.62476 6.55502 5.67502 8.7531 11.6311 8.4312 9.49968 11.816 12.3484 6.63448 5.94827 numMergedOcc 0
25 mol 60 unq 4 iso 1 dist 8.52121 6.43294 5.51199 7.57295 6.55502 8.62476 5.67502 11.6311 8.7531 8.4312 9.49968 12.3484 11.816 6.63448 5.94827 numMergedOcc 0
26 mol 60 unq 5 iso 0 dist 6.43294 8.52121 5.51199 7.57295 8.62476 6.55502 6.54743 11.5843 12.4757 7.48086 9.49968 11.816 12.3484 6.63448 5.32257 numMergedOcc 0
27 mol 60 unq 5 iso 1 dist 8.52121 6.43294 5.51199 7.57295 6.55502 8.62476 6.54743 12.4757 11.5843 7.48086 9.49968 12.3484 11.816 6.63448 5.32257 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 9.73086 17.4121 5.70116 5.4148 10.2049 6.19304 7.4369 5.11416 13.8696 9.24757 6.14542 6.56633 numMergedOcc 0
29 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 9.73086 5.70116 17.4121 5.4148 6.19304 10.2049 7.4369 5.11416 9.24757 13.8696 6.14542 6.56633 numMergedOcc 0
30 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 9.73086 17.4121 14.844 5.4148 10.2049 11.6369 7.4369 5.11416 13.8696 13.0145 6.14542 6.56633 numMergedOcc 0
31 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 9.73086 14.844 17.4121 5.4148 11.6369 10.2049 7.4369 5.11416 13.0145 13.8696 6.14542 6.56633 numMergedOcc 0
32 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 9.73086 5.70116 14.844 5.4148 6.19304 11.6369 7.4369 5.11416 9.24757 13.0145 6.14542 6.56633 numMergedOcc 0
33 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 9.73086 14.844 5.70116 5.4148 11.6369 6.19304 7.4369 5.11416 13.0145 9.24757 6.14542 6.56633 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 10.8375 10.1489 13.2001 9.21662 6.71012 9.1361 9.5074 6.55173 6.12107 numMergedOcc 0
35 mol 100 unq 0 iso 1 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 10.8375 13.2001 10.1489 9.21662 6.71012 9.5074 9.1361 6.55173 6.12107 numMergedOcc 0
36 mol 100 unq 1 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 10.8375 10.1489 13.2001 9.21662 5.80144 7.01812 8.30845 6.59691 5.42531 numMergedOcc 0
37 mol 100 unq 1 iso 1 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 10.8375 13.2001 10.1489 9.21662 5.80144 8.30845 7.01812 6.59691 5.42531 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 5.62899 11.7385 11.3835 9.66543 4.57832 6.23142 9.94764 9.0176 7.1797 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 7.21868 4.00092 8.06642 5.62899 11.3835 11.7385 9.66543 4.57832 9.94764 6.23142 9.0176 7.1797 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 5.49782 6.37586 9.71307 7.93372 4.57832 6.23142 9.94764 9.0176 5.29786 numMergedOcc 0
41 mol 134 unq 1 iso 1 dist 9.86662 8.94367 6.81259 7.21868 4.00092 8.06642 5.49782 9.71307 6.37586 7.93372 4.57832 9.94764 6.23142 9.0176 5.29786 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 10.7144 11.7385 11.3835 9.66543 5.29786 6.23142 9.94764 9.0176 7.1797 numMergedOcc 0
43 mol 134 unq 2 iso 1 dist 9.71307 6.37586 6.81259 7.93372 4.00092 8.06642 10.7144 11.3835 11.7385 9.66543 5.29786 9.94764 6.23142 9.0176 7.1797 numMergedOcc 0
44 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 5.49782 8.94367 9.86662 7.21868 5.29786 6.23142 9.94764 9.0176 4.57832 numMergedOcc 0
45 mol 134 unq 3 iso 1 dist 9.71307 6.37586 6.81259 7.93372 4.00092 8.06642 5.49782 9.86662 8.94367 7.21868 5.29786 9.94764 6.23142 9.0176 4.57832 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 9.76212 12.9532 6.50233 6.01247 9.94371 10.9639 8.59874 4.43096 12.4878 6.46704 7.35884 6.06566 numMergedOcc 0
47 mol 181 unq 0 iso 1 dist 8.03334 9.1374 13.2049 9.76212 6.50233 12.9532 6.01247 10.9639 9.94371 8.59874 4.43096 6.46704 12.4878 7.35884 6.06566 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 7.81386 7.63312 8.85576 9.01624 5.71898 5.93724 11.5866 9.81747 9.11469 5.05973 7.20191 9.39829 6.41453 5.99437 5.48529 numMergedOcc 0
49 mol 181 unq 1 iso 1 dist 7.63312 7.81386 8.85576 9.01624 5.93724 5.71898 11.5866 9.11469 9.81747 5.05973 7.20191 6.41453 9.39829 5.99437 5.48529 numMergedOcc 0
50 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 6.77699 10.103 6.65832 6.99769 7.38836 11.9653 10.8507 9.25617 5.91654 numMergedOcc 0
51 mol 224 unq 0 iso 1 dist 6.60589 6.57273 5.0744 8.79428 5.76843 7.05804 6.77699 6.65832 10.103 6.99769 7.38836 10.8507 11.9653 9.25617 5.91654 numMergedOcc 0
52 mol 224 unq 1 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 6.77699 10.103 6.65832 6.99769 12.4832 14.5387 13.4196 9.05276 9.14278 numMergedOcc 0
53 mol 224 unq 1 iso 1 dist 6.60589 6.57273 5.0744 8.79428 5.76843 7.05804 6.77699 6.65832 10.103 6.99769 12.4832 13.4196 14.5387 9.05276 9.14278 numMergedOcc 0
54 mol 224 unq 2 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 8.49799 5.78342 9.16166 6.8692 7.38836 11.9653 10.8507 9.25617 10.6079 numMergedOcc 0
55 mol 224 unq 2 iso 1 dist 6.60589 6.57273 5.0744 8.79428 5.76843 7.05804 8.49799 9.16166 5.78342 6.8692 7.38836 10.8507 11.9653 9.25617 10.6079 numMergedOcc 0
56 mol 224 unq 3 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 8.49799 5.78342 9.16166 6.8692 12.4832 14.5387 13.4196 9.05276 11.5752 numMergedOcc 0
57 mol 224 unq 3 iso 1 dist 6.60589 6.57273 5.0744 8.79428 5.76843 7.05804 8.49799 9.16166 5.78342 6.8692 12.4832 13.4196 14.5387 9.05276 11.5752 numMergedOcc 0
58 mol 224 unq 4 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 11.328 10.103 6.65832 6.99769 10.6079 11.9653 10.8507 9.25617 5.91654 numMergedOcc 0
59 mol 224 unq 4 iso 1 dist 9.16166 5.78342 5.0744 6.8692 5.76843 7.05804 11.328 6.65832 10.103 6.99769 10.6079 10.8507 11.9653 9.25617 5.91654 numMergedOcc 0
60 mol 224 unq 5 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 11.328 10.103 6.65832 6.99769 11.5752 14.5387 13.4196 9.05276 9.14278 numMergedOcc 0
61 mol 224 unq 5 iso 1 dist 9.16166 5.78342 5.0744 6.8692 5.76843 7.05804 11.328 6.65832 10.103 6.99769 11.5752 13.4196 14.5387 9.05276 9.14278 numMergedOcc 0
62 mol 224 unq 6 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 8.49799 6.57273 6.60589 8.79428 10.6079 11.9653 10.8507 9.25617 7.38836 numMergedOcc 0
63 mol 224 unq 6 iso 1 dist 9.16166 5.78342 5.0744 6.8692 5.76843 7.05804 8.49799 6.60589 6.57273 8.79428 10.6079 10.8507 11.9653 9.25617 7.38836 numMergedOcc 0
64 mol 224 unq 7 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 8.49799 6.57273 6.60589 8.79428 11.5752 14.5387 13.4196 9.05276 12.4832 numMergedOcc 0
65 mol 224 unq 7 iso 1 dist 9.16166 5.78342 5.0744 6.8692 5.76843 7.05804 8.49799 6.60589 6.57273 8.79428 11.5752 13.4196 14.5387 9.05276 12.4832 numMergedOcc 0
66 mol 224 unq 8 iso 0 dist 5.78342 5.81334 5.60236 6.8692 7.05804 4.54188 11.328 10.103 10.9745 6.99769 10.6079 11.9653 12.9355 9.25617 5.91654 numMergedOcc 0
67 mol 224 unq 8 iso 1 dist 5.81334 5.78342 5.60236 6.8692 4.54188 7.05804 11.328 10.9745 10.103 6.99769 10.6079 12.9355 11.9653 9.25617 5.91654 numMergedOcc 0
68 mol 224 unq 9 iso 0 dist 5.78342 5.81334 5.60236 6.8692 7.05804 4.54188 11.328 10.103 10.9745 6.99769 11.5752 14.5387 12.8311 9.05276 9.14278 numMergedOcc 0
69 mol 224 unq 9 iso 1 dist 5.81334 5.78342 5.60236 6.8692 4.54188 7.05804 11.328 10.9745 10.103 6.99769 11.5752 12.8311 14.5387 9.05276 9.14278 numMergedOcc 0
70 mol 224 unq 10 iso 0 dist 5.78342 5.81334 5.60236 6.8692 7.05804 4.54188 8.49799 6.57273 10.5128 8.79428 10.6079 11.9653 12.9355 9.25617 7.38836 numMergedOcc 0
71 mol 224 unq 10 iso 1 dist 5.81334 5.78342 5.60236 6.8692 4.54188 7.05804 8.49799 10.5128 6.57273 8.79428 10.6079 12.9355 11.9653 9.25617 7.38836 numMergedOcc 0
72 mol 224 unq 11 iso 0 dist 5.78342 5.81334 5.60236 6.8692 7.05804 4.54188 8.49799 6.57273 10.5128 8.79428 11.5752 14.5387 12.8311 9.05276 12.4832 numMergedOcc 0
73 mol 224 unq 11 iso 1 dist 5.81334 5.78342 5.60236 6.8692 4.54188 7.05804 8.49799 10.5128 6.57273 8.79428 11.5752 12.8311 14.5387 9.05276 12.4832 numMergedOcc 0
74 mol 224 unq 8 iso 0 dist 9.16166 5.81334 6.91102 6.8692 5.76843 4.54188 11.328 6.65832 10.9745 6.99769 10.6079 10.8507 12.9355 9.25617 5.91654 numMergedOcc 0
75 mol 224 unq 8 iso 1 dist 5.81334 9.16166 6.91102 6.8692 4.54188 5.76843 11.328 10.9745 6.65832 6.99769 10.6079 12.9355 10.8507 9.25617 5.91654 numMergedOcc 0
76 mol 224 unq 9 iso 0 dist 9.16166 5.81334 6.91102 6.8692 5.76843 4.54188 11.328 6.65832 10.9745 6.99769 11.5752 13.4196 12.8311 9.05276 9.14278 numMergedOcc 0
77 mol 224 unq 9 iso 1 dist 5.81334 9.16166 6.91102 6.8692 4.54188 5.76843 11.328 10.9745 6.65832 6.99769 11.5752 12.8311 13.4196 9.05276 9.14278 numMergedOcc 0
78 mol 224 unq 10 iso 0 dist 9.16166 5.81334 6.91102 6.8692 5.76843 4.54188 8.49799 6.60589 10.5128 8.79428 10.6079 10.8507 12.9355 9.25617 7.38836 numMergedOcc 0
79 mol 224 unq 10 iso 1 dist 5.81334 9.16166 6.91102 6.8692 4.54188 5.76843 8.49799 10.5128 6.60589 8.79428 10.6079 12.9355 10.8507 9.25617 7.38836 numMergedOcc 0
80 mol 224 unq 11 iso 0 dist 9.16166 5.81334 6.91102 6.8692 5.76843 4.54188 8.49799 6.60589 10.5128 8.79428 11.5752 13.4196 12.8311 9.05276 12.4832 numMergedOcc 0
81 mol 224 unq 11 iso 1 dist 5.81334 9.16166 6.91102 6.8692 4.54188 5.76843 8.49799 10.5128 6.60589 8.79428 11.5752 12.8311 13.4196 9.05276 12.4832 numMergedOcc 0
82 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 5.22356 8.65997 10.8157 6.91318 6.35849 7.43071 6.02296 9.18728 10.204 numMergedOcc 0
83 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 5.23634 5.83175 5.0317 5.22356 10.8157 8.65997 6.91318 6.35849 6.02296 7.43071 9.18728 10.204 numMergedOcc 0
84 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 5.22356 8.65997 10.8157 6.91318 10.9607 5.41321 9.74265 8.91971 9.72615 numMergedOcc 0
85 mol 227 unq 1 iso 1 dist 7.09863 7.22101 4.39704 5.23634 5.83175 5.0317 5.22356 10.8157 8.65997 6.91318 10.9607 9.74265 5.41321 8.91971 9.72615 numMergedOcc 0
86 mol 229 unq 0 iso 0 dist 8.22528 7.03423 5.57838 7.27993 5.70473 7.22525 5.1556 11.3979 11.9282 9.51168 6.65022 8.66332 11.1976 9.37336 5.42069 numMergedOcc 0
87 mol 229 unq 0 iso 1 dist 7.03423 8.22528 5.57838 7.27993 7.22525 5.70473 5.1556 11.9282 11.3979 9.51168 6.65022 11.1976 8.66332 9.37336 5.42069 numMergedOcc 0
88 mol 229 unq 1 iso 0 dist 8.22528 7.03423 5.57838 7.27993 5.70473 7.22525 7.0298 11.7165 11.4362 6.95201 6.65022 8.66332 11.1976 9.37336 10.2411 numMergedOcc 0
89 mol 229 unq 1 iso 1 dist 7.03423 8.22528 5.57838 7.27993 7.22525 5.70473 7.0298 11.4362 11.7165 6.95201 6.65022 11.1976 8.66332 9.37336 10.2411 numMergedOcc 0
90 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 7.81215 12.4252 5.75498 10.2693 17.458 10.701 5.64285 10.0059 17.6227 12.6238 7.77911 5.08515 numMergedOcc 0
91 mol 234 unq 0 iso 1 dist 6.7625 9.45496 7.82322 7.81215 5.75498 12.4252 10.2693 10.701 17.458 5.64285 10.0059 12.6238 17.6227 7.77911 5.08515 numMergedOcc 0
