0 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 7.95042 5.11636 5.69214 6.44287 8.38394 12.5077 10.9819 8.52463 8.60554 7.29868 5.80953 12.3994 numMergedOcc 0
1 mol 60 unq 0 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
2 mol 60 unq 1 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
3 mol 60 unq 2 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
4 mol 60 unq 3 iso 0 dist 6.43294 6.65595 10.6819 7.57295 8.62476 7.80499 10.1562 8.33063 16.4714 12.8147 9.49968 11.816 12.1928 6.63448 11.2415 numMergedOcc 0
5 mol 60 unq 4 iso 0 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
6 mol 60 unq 5 iso 0 dist 6.43294 9.25011 11.3621 7.57295 8.62476 5.6397 10.1562 8.33063 17.3965 12.8147 9.49968 11.816 11.3973 6.63448 11.2415 numMergedOcc 0
7 mol 60 unq 6 iso 0 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
8 mol 60 unq 7 iso 0 dist 6.43294 8.52121 5.51199 7.57295 8.62476 6.55502 10.1562 8.33063 13.1051 12.8147 9.49968 11.816 12.3484 6.63448 11.2415 numMergedOcc 0
9 mol 60 unq 8 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
10 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 9.55118 5.69391 9.78221 10.7394 8.8178 9.84449 13.6019 11.6378 9.27838 16.0048 7.58875 15.434 numMergedOcc 0
11 mol 73 unq 0 iso 0 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
12 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 9.73086 5.70116 17.4121 14.9342 8.70481 20.257 12.8207 5.11416 9.24757 13.8696 6.14542 15.3808 numMergedOcc 0
13 mol 73 unq 2 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
14 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 9.73086 5.70116 14.844 14.9342 8.70481 10.1207 12.8207 5.11416 9.24757 13.0145 6.14542 15.3808 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 11.5403 7.17106 10.5134 10.5432 6.71012 9.1361 9.5074 6.55173 12.5531 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 11.5403 7.17106 10.5134 10.5432 5.80144 7.01812 8.30845 6.59691 8.4128 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 7.80879 9.35224 6.56369 11.5088 6.71012 9.1361 9.5074 6.55173 13.0596 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 7.80879 9.35224 6.56369 11.5088 5.80144 7.01812 8.30845 6.59691 10.0456 numMergedOcc 0
19 mol 100 unq 4 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 8.8807 7.47343 12.0662 9.76432 6.71012 9.5074 9.1361 6.55173 10.6245 numMergedOcc 0
20 mol 100 unq 5 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 8.8807 7.47343 12.0662 9.76432 5.80144 8.30845 7.01812 6.59691 12.2861 numMergedOcc 0
21 mol 100 unq 6 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 7.80879 6.56369 9.35224 11.5088 6.71012 9.5074 9.1361 6.55173 13.0596 numMergedOcc 0
22 mol 100 unq 7 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 7.80879 6.56369 9.35224 11.5088 5.80144 8.30845 7.01812 6.59691 10.0456 numMergedOcc 0
23 mol 100 unq 8 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 5.38414 9.30209 10.5853 11.6812 6.71012 9.5074 9.1361 6.55173 9.97598 numMergedOcc 0
24 mol 100 unq 9 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 5.38414 9.30209 10.5853 11.6812 5.80144 8.30845 7.01812 6.59691 6.70236 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 8.77023 15.0115 13.0405 8.18495 7.11802 13.268 12.5855 4.54648 10.9061 6.16242 8.83732 12.538 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 8.00618 6.80239 7.79672 8.77023 15.0115 13.7612 8.18495 7.11802 12.6651 12.5855 4.54648 10.9061 5.87634 8.83732 12.538 numMergedOcc 0
27 mol 134 unq 0 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
28 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 8.80819 6.49416 12.5075 11.988 4.57832 6.23142 9.94764 9.0176 5.71679 numMergedOcc 0
29 mol 134 unq 2 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
30 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 5.00817 6.49416 12.5075 11.988 5.29786 6.23142 9.94764 9.0176 5.71679 numMergedOcc 0
31 mol 134 unq 4 iso 0 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
32 mol 134 unq 5 iso 0 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
33 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 8.97626 9.16779 4.91785 5.71071 6.23493 10.2463 12.9034 5.50031 12.2416 7.92304 9.16358 11.0769 numMergedOcc 0
34 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 8.97626 9.16779 4.91785 5.71071 6.23493 10.2463 12.9034 6.89781 10.9606 10.3161 9.24038 10.4923 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 9.76212 12.9532 6.50233 8.88798 5.98885 10.7062 13.2783 4.43096 12.4878 6.46704 7.35884 12.2164 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 9.1374 8.03334 13.2049 9.76212 12.9532 6.50233 12.1628 9.15386 14.9794 18.2853 4.43096 12.4878 6.46704 7.35884 16.0596 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 4.70378 8.95269 9.99123 13.2325 7.38836 11.9653 10.8507 9.25617 11.1545 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 4.70378 8.95269 9.99123 13.2325 12.4832 14.5387 13.4196 9.05276 16.8238 numMergedOcc 0
39 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
40 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
41 mol 224 unq 4 iso 0 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
42 mol 224 unq 5 iso 0 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
43 mol 224 unq 6 iso 0 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
44 mol 224 unq 7 iso 0 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
45 mol 224 unq 8 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 11.5372 8.95269 9.99123 13.2325 10.6079 11.9653 10.8507 9.25617 11.1545 numMergedOcc 0
46 mol 224 unq 9 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 11.5372 8.95269 9.99123 13.2325 11.5752 14.5387 13.4196 9.05276 16.8238 numMergedOcc 0
47 mol 224 unq 10 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
48 mol 224 unq 11 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
49 mol 224 unq 12 iso 0 dist 5.78342 5.81334 5.60236 6.8692 7.05804 4.54188 11.5372 8.95269 14.0676 13.2325 10.6079 11.9653 12.9355 9.25617 11.1545 numMergedOcc 0
50 mol 224 unq 13 iso 0 dist 5.78342 5.81334 5.60236 6.8692 7.05804 4.54188 11.5372 8.95269 14.0676 13.2325 11.5752 14.5387 12.8311 9.05276 16.8238 numMergedOcc 0
51 mol 224 unq 14 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
52 mol 224 unq 15 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
53 mol 224 unq 16 iso 0 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
54 mol 224 unq 17 iso 0 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
55 mol 224 unq 18 iso 0 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
56 mol 224 unq 19 iso 0 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
57 mol 224 unq 20 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
58 mol 224 unq 21 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
59 mol 224 unq 22 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
60 mol 224 unq 23 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
61 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 6.99063 9.34734 10.4905 10.7855 6.35849 7.43071 6.02296 9.18728 6.00424 numMergedOcc 0
62 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 6.99063 9.34734 10.4905 10.7855 10.9607 5.41321 9.74265 8.91971 10.7656 numMergedOcc 0
63 mol 227 unq 2 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
64 mol 227 unq 3 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
65 mol 227 unq 4 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 10.8658 7.56888 11.0431 11.2661 6.35849 7.43071 6.02296 9.18728 9.76735 numMergedOcc 0
66 mol 227 unq 5 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 10.8658 7.56888 11.0431 11.2661 10.9607 5.41321 9.74265 8.91971 5.10635 numMergedOcc 0
67 mol 227 unq 6 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 12.4689 7.55216 10.0334 12.3663 6.35849 7.43071 6.02296 9.18728 9.32448 numMergedOcc 0
68 mol 227 unq 7 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 12.4689 7.55216 10.0334 12.3663 10.9607 5.41321 9.74265 8.91971 6.48027 numMergedOcc 0
69 mol 229 unq 0 iso 0 dist 7.03423 8.22528 5.57838 7.27993 7.22525 5.70473 6.84129 9.06952 13.2905 11.9869 6.65022 11.1976 8.66332 9.37336 13.2737 numMergedOcc 0
70 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 7.81215 12.4252 5.75498 5.88703 6.56247 9.36357 11.6391 10.0059 17.6227 12.6238 7.77911 13.8349 numMergedOcc 0
71 mol 234 unq 1 iso 0 dist 6.7625 9.45496 7.82322 7.81215 5.75498 12.4252 5.88703 9.36357 6.56247 11.6391 10.0059 12.6238 17.6227 7.77911 13.8349 numMergedOcc 0
