0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 5.01101 6.42835 11.0298 11.6856 10.2656 16.4761 7.65889 6.93532 5.30082 10.4366 5.94982 6.51133 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 5.61579 5.38524 8.69057 11.715 5.79773 10.8779 8.66539 14.2075 9.37804 14.0374 9.02642 6.49081 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 5.61579 5.38524 13.1897 11.715 5.79773 14.4309 8.66539 14.2075 9.37804 19.0104 9.02642 6.49081 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 6.81627 9.55426 9.7274 5.61579 5.38524 13.1897 7.32874 5.47421 5.90225 8.69057 14.2075 9.37804 19.0104 9.02642 14.0374 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 7.32874 6.81627 5.47421 5.61579 8.69057 5.38524 11.715 10.8779 5.79773 8.66539 14.2075 14.0374 9.37804 9.02642 6.49081 numMergedOcc 0
5 mol 58 unq 4 iso 0 dist 7.32874 9.55426 5.90225 5.61579 8.69057 13.1897 11.715 10.8779 14.4309 8.66539 14.2075 14.0374 19.0104 9.02642 6.49081 numMergedOcc 0
6 mol 58 unq 5 iso 0 dist 7.32874 9.55426 5.90225 5.61579 8.69057 13.1897 6.81627 5.47421 9.7274 5.38524 14.2075 14.0374 19.0104 9.02642 9.37804 numMergedOcc 0
7 mol 58 unq 6 iso 0 dist 6.62496 6.86465 5.30792 9.87158 9.22598 13.3281 6.35756 4.81926 5.35073 8.96727 8.80614 9.95364 10.2049 9.01564 5.49591 numMergedOcc 0
8 mol 58 unq 7 iso 0 dist 6.35756 6.86465 5.35073 9.87158 8.96727 13.3281 6.62496 4.81926 5.30792 9.22598 8.80614 5.49591 10.2049 9.01564 9.95364 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 6.65595 8.90863 6.54743 7.80499 7.57295 7.48086 11.1899 5.67502 5.00018 8.4312 12.1928 9.49968 5.32257 6.63448 5.94827 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 8.90863 6.65595 6.54743 7.80499 7.48086 7.57295 11.1899 5.00018 5.67502 8.4312 12.1928 5.32257 9.49968 6.63448 5.94827 numMergedOcc 0
11 mol 60 unq 2 iso 0 dist 6.43294 8.33063 10.1562 8.62476 7.57295 12.8147 8.7531 5.67502 7.29309 8.4312 11.816 9.49968 11.2415 6.63448 5.94827 numMergedOcc 0
12 mol 60 unq 3 iso 0 dist 6.43294 8.33063 10.1562 8.62476 7.57295 12.8147 11.5843 6.54743 12.2509 7.48086 11.816 9.49968 11.2415 6.63448 5.32257 numMergedOcc 0
13 mol 60 unq 4 iso 0 dist 6.43294 8.7531 5.67502 8.62476 7.57295 8.4312 11.5843 6.54743 5.00018 7.48086 11.816 9.49968 5.94827 6.63448 5.32257 numMergedOcc 0
14 mol 60 unq 5 iso 0 dist 8.7531 8.33063 7.29309 8.62476 8.4312 12.8147 6.43294 5.67502 10.1562 7.57295 11.816 5.94827 11.2415 6.63448 9.49968 numMergedOcc 0
15 mol 60 unq 6 iso 0 dist 8.7531 8.33063 7.29309 8.62476 8.4312 12.8147 11.5843 5.00018 12.2509 7.48086 11.816 5.94827 11.2415 6.63448 5.32257 numMergedOcc 0
16 mol 60 unq 7 iso 0 dist 8.7531 6.43294 5.67502 8.62476 8.4312 7.57295 11.5843 5.00018 6.54743 7.48086 11.816 5.94827 9.49968 6.63448 5.32257 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 9.96396 8.70481 14.9342 5.70116 9.73086 12.8207 6.19304 5.4148 13.3558 7.4369 9.24757 5.11416 15.3808 6.14542 6.56633 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 5.70116 7.4369 12.8207 9.96396 5.4148 14.9342 9.73086 9.24757 6.56633 15.3808 6.14542 5.11416 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 6.10456 8.40073 9.42358 5.2571 11.3043 7.94178 15.7178 9.84703 9.85543 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 6.10456 8.40073 9.42358 5.2571 6.65501 4.4057 7.42446 4.62494 9.67482 numMergedOcc 0
21 mol 98 unq 2 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 10.1136 10.2427 13.9786 8.7497 11.3043 7.94178 15.7178 9.84703 7.28361 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 10.1136 10.2427 13.9786 8.7497 6.65501 4.4057 7.42446 4.62494 12.0974 numMergedOcc 0
23 mol 98 unq 4 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 6.48948 9.51923 9.42358 5.92242 11.3043 7.94178 9.85543 9.84703 15.7178 numMergedOcc 0
24 mol 98 unq 5 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 6.48948 9.51923 9.42358 5.92242 6.65501 4.4057 9.67482 4.62494 7.42446 numMergedOcc 0
25 mol 98 unq 6 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 10.1136 10.2427 5.02887 8.7497 11.3043 7.94178 9.85543 9.84703 7.28361 numMergedOcc 0
26 mol 98 unq 7 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 10.1136 10.2427 5.02887 8.7497 6.65501 4.4057 9.67482 4.62494 12.0974 numMergedOcc 0
27 mol 98 unq 8 iso 0 dist 6.48948 5.08437 9.51923 3.9764 5.92242 5.10496 6.10456 9.42358 8.40073 5.2571 11.3043 15.7178 7.94178 9.84703 9.85543 numMergedOcc 0
28 mol 98 unq 9 iso 0 dist 6.48948 5.08437 9.51923 3.9764 5.92242 5.10496 6.10456 9.42358 8.40073 5.2571 6.65501 7.42446 4.4057 4.62494 9.67482 numMergedOcc 0
29 mol 98 unq 10 iso 0 dist 6.48948 5.08437 9.51923 3.9764 5.92242 5.10496 10.1136 13.9786 10.2427 8.7497 11.3043 15.7178 7.94178 9.84703 7.28361 numMergedOcc 0
30 mol 98 unq 11 iso 0 dist 6.48948 5.08437 9.51923 3.9764 5.92242 5.10496 10.1136 13.9786 10.2427 8.7497 6.65501 7.42446 4.4057 4.62494 12.0974 numMergedOcc 0
31 mol 98 unq 12 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 5.08437 9.51923 8.40073 5.10496 11.3043 15.7178 9.85543 9.84703 7.94178 numMergedOcc 0
32 mol 98 unq 13 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 5.08437 9.51923 8.40073 5.10496 6.65501 7.42446 9.67482 4.62494 4.4057 numMergedOcc 0
33 mol 98 unq 14 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 10.1136 13.9786 5.02887 8.7497 11.3043 15.7178 9.85543 9.84703 7.28361 numMergedOcc 0
34 mol 98 unq 15 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 10.1136 13.9786 5.02887 8.7497 6.65501 7.42446 9.67482 4.62494 12.0974 numMergedOcc 0
35 mol 98 unq 16 iso 0 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 17.4071 13.659 18.6405 9.64383 6.65501 9.67482 4.4057 8.46823 16.4267 numMergedOcc 0
36 mol 98 unq 17 iso 0 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 17.4071 13.659 18.6405 9.64383 11.3043 9.85543 7.94178 9.25444 18.5442 numMergedOcc 0
37 mol 98 unq 18 iso 0 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 10.1136 5.02887 10.2427 7.78931 6.65501 9.67482 4.4057 8.46823 12.0974 numMergedOcc 0
38 mol 98 unq 19 iso 0 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 10.1136 5.02887 10.2427 7.78931 11.3043 9.85543 7.94178 9.25444 7.28361 numMergedOcc 0
39 mol 98 unq 20 iso 0 dist 6.10456 5.08437 8.40073 3.9764 5.2571 5.10496 6.48948 9.42358 9.51923 5.92242 11.3043 9.85543 7.94178 9.84703 15.7178 numMergedOcc 0
40 mol 98 unq 21 iso 0 dist 6.10456 5.08437 8.40073 3.9764 5.2571 5.10496 6.48948 9.42358 9.51923 5.92242 6.65501 9.67482 4.4057 4.62494 7.42446 numMergedOcc 0
41 mol 98 unq 22 iso 0 dist 6.10456 5.08437 8.40073 3.9764 5.2571 5.10496 10.1136 5.02887 10.2427 8.7497 11.3043 9.85543 7.94178 9.84703 7.28361 numMergedOcc 0
42 mol 98 unq 23 iso 0 dist 6.10456 5.08437 8.40073 3.9764 5.2571 5.10496 10.1136 5.02887 10.2427 8.7497 6.65501 9.67482 4.4057 4.62494 12.0974 numMergedOcc 0
43 mol 98 unq 24 iso 0 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 17.4071 13.659 14.7899 9.64383 6.65501 9.67482 7.42446 8.46823 16.4267 numMergedOcc 0
44 mol 98 unq 25 iso 0 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 17.4071 13.659 14.7899 9.64383 11.3043 9.85543 15.7178 9.25444 18.5442 numMergedOcc 0
45 mol 98 unq 26 iso 0 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 10.1136 5.02887 13.9786 7.78931 6.65501 9.67482 7.42446 8.46823 12.0974 numMergedOcc 0
46 mol 98 unq 27 iso 0 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 10.1136 5.02887 13.9786 7.78931 11.3043 9.85543 15.7178 9.25444 7.28361 numMergedOcc 0
47 mol 98 unq 28 iso 0 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 5.08437 8.40073 9.51923 5.10496 11.3043 9.85543 15.7178 9.84703 7.94178 numMergedOcc 0
48 mol 98 unq 29 iso 0 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 5.08437 8.40073 9.51923 5.10496 6.65501 9.67482 7.42446 4.62494 4.4057 numMergedOcc 0
49 mol 98 unq 30 iso 0 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 10.1136 5.02887 13.9786 8.7497 11.3043 9.85543 15.7178 9.84703 7.28361 numMergedOcc 0
50 mol 98 unq 31 iso 0 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 10.1136 5.02887 13.9786 8.7497 6.65501 9.67482 7.42446 4.62494 12.0974 numMergedOcc 0
51 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 4.03277 8.91882 10.5432 10.1489 10.8375 10.8586 9.21662 9.1361 6.71012 12.5531 6.55173 6.12107 numMergedOcc 0
52 mol 100 unq 1 iso 0 dist 9.60661 7.17106 11.5403 4.03277 8.91882 10.5432 10.1489 10.8375 10.8586 9.21662 7.01812 5.80144 8.4128 6.59691 5.42531 numMergedOcc 0
53 mol 100 unq 2 iso 0 dist 9.60661 9.35224 7.80879 4.03277 8.91882 11.5088 10.1489 10.8375 15.1999 9.21662 9.1361 6.71012 13.0596 6.55173 6.12107 numMergedOcc 0
54 mol 100 unq 3 iso 0 dist 9.60661 9.35224 7.80879 4.03277 8.91882 11.5088 10.1489 10.8375 15.1999 9.21662 7.01812 5.80144 10.0456 6.59691 5.42531 numMergedOcc 0
55 mol 100 unq 4 iso 0 dist 6.65086 7.47343 8.8807 6.23008 8.91882 9.76432 13.2001 10.8375 16.3949 9.21662 9.5074 6.71012 10.6245 6.55173 6.12107 numMergedOcc 0
56 mol 100 unq 5 iso 0 dist 6.65086 7.47343 8.8807 6.23008 8.91882 9.76432 13.2001 10.8375 16.3949 9.21662 8.30845 5.80144 12.2861 6.59691 5.42531 numMergedOcc 0
57 mol 100 unq 6 iso 0 dist 6.65086 6.56369 7.80879 6.23008 8.91882 11.5088 13.2001 10.8375 15.1999 9.21662 9.5074 6.71012 13.0596 6.55173 6.12107 numMergedOcc 0
58 mol 100 unq 7 iso 0 dist 6.65086 6.56369 7.80879 6.23008 8.91882 11.5088 13.2001 10.8375 15.1999 9.21662 8.30845 5.80144 10.0456 6.59691 5.42531 numMergedOcc 0
59 mol 100 unq 8 iso 0 dist 6.65086 9.30209 5.38414 6.23008 8.91882 11.6812 13.2001 10.8375 11.2306 9.21662 9.5074 6.71012 9.97598 6.55173 6.12107 numMergedOcc 0
60 mol 100 unq 9 iso 0 dist 6.65086 9.30209 5.38414 6.23008 8.91882 11.6812 13.2001 10.8375 11.2306 9.21662 8.30845 5.80144 6.70236 6.59691 5.42531 numMergedOcc 0
61 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 8.06642 7.21868 7.93372 11.7385 5.62899 10.7144 9.66543 6.23142 4.57832 5.29786 9.0176 7.1797 numMergedOcc 0
62 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 8.06642 7.21868 11.988 11.7385 5.62899 12.8168 9.66543 6.23142 4.57832 5.71679 9.0176 7.1797 numMergedOcc 0
63 mol 134 unq 2 iso 0 dist 8.94367 6.49416 8.80819 8.06642 7.21868 11.988 6.37586 5.49782 5.00817 7.93372 6.23142 4.57832 5.71679 9.0176 5.29786 numMergedOcc 0
64 mol 134 unq 3 iso 0 dist 6.37586 8.94367 5.49782 8.06642 7.93372 7.21868 11.7385 10.7144 5.62899 9.66543 6.23142 5.29786 4.57832 9.0176 7.1797 numMergedOcc 0
65 mol 134 unq 4 iso 0 dist 6.37586 6.49416 5.00817 8.06642 7.93372 11.988 11.7385 10.7144 12.8168 9.66543 6.23142 5.29786 5.71679 9.0176 7.1797 numMergedOcc 0
66 mol 134 unq 5 iso 0 dist 6.37586 6.49416 5.00817 8.06642 7.93372 11.988 8.94367 5.49782 8.80819 7.21868 6.23142 5.29786 5.71679 9.0176 4.57832 numMergedOcc 0
67 mol 134 unq 6 iso 0 dist 9.86662 9.71307 5.49782 4.00092 7.21868 7.93372 11.3835 5.62899 10.7144 9.66543 9.94764 4.57832 5.29786 9.0176 7.1797 numMergedOcc 0
68 mol 134 unq 7 iso 0 dist 9.71307 9.86662 5.49782 4.00092 7.93372 7.21868 11.3835 10.7144 5.62899 9.66543 9.94764 5.29786 4.57832 9.0176 7.1797 numMergedOcc 0
69 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 12.9532 9.76212 13.2783 9.94371 6.01247 12.6324 8.59874 12.4878 4.43096 12.2164 7.35884 6.06566 numMergedOcc 0
70 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 12.9532 9.76212 18.2853 9.94371 6.01247 16.5106 8.59874 12.4878 4.43096 16.0596 7.35884 6.06566 numMergedOcc 0
71 mol 224 unq 0 iso 0 dist 6.61986 9.40098 9.54151 5.13732 8.08349 11.2501 13.4025 10.3613 15.5013 9.78218 10.0553 10.7174 13.9547 5.05368 6.51732 numMergedOcc 0
72 mol 224 unq 1 iso 0 dist 6.65832 6.60589 6.77699 5.76843 6.99769 8.79428 9.16166 11.328 8.49799 6.8692 10.8507 5.91654 7.38836 9.25617 10.6079 numMergedOcc 0
73 mol 224 unq 2 iso 0 dist 6.65832 6.60589 6.77699 5.76843 6.99769 8.79428 9.16166 11.328 8.49799 6.8692 13.4196 9.14278 12.4832 9.05276 11.5752 numMergedOcc 0
74 mol 224 unq 3 iso 0 dist 6.65832 9.16166 11.328 5.76843 6.99769 6.8692 6.60589 6.77699 8.49799 8.79428 10.8507 5.91654 10.6079 9.25617 7.38836 numMergedOcc 0
75 mol 224 unq 4 iso 0 dist 6.65832 9.16166 11.328 5.76843 6.99769 6.8692 6.60589 6.77699 8.49799 8.79428 13.4196 9.14278 11.5752 9.05276 12.4832 numMergedOcc 0
76 mol 224 unq 5 iso 0 dist 6.57273 8.95269 4.70378 7.05804 8.79428 13.2325 10.103 6.77699 10.9861 6.99769 11.9653 7.38836 11.1545 9.25617 5.91654 numMergedOcc 0
77 mol 224 unq 6 iso 0 dist 6.57273 8.95269 4.70378 7.05804 8.79428 13.2325 10.103 6.77699 10.9861 6.99769 14.5387 12.4832 16.8238 9.05276 9.14278 numMergedOcc 0
78 mol 224 unq 7 iso 0 dist 6.57273 8.95269 4.70378 7.05804 8.79428 13.2325 5.78342 8.49799 11.5372 6.8692 11.9653 7.38836 11.1545 9.25617 10.6079 numMergedOcc 0
79 mol 224 unq 8 iso 0 dist 6.57273 8.95269 4.70378 7.05804 8.79428 13.2325 5.78342 8.49799 11.5372 6.8692 14.5387 12.4832 16.8238 9.05276 11.5752 numMergedOcc 0
80 mol 224 unq 9 iso 0 dist 6.57273 5.78342 8.49799 7.05804 8.79428 6.8692 10.103 6.77699 11.328 6.99769 11.9653 7.38836 10.6079 9.25617 5.91654 numMergedOcc 0
81 mol 224 unq 10 iso 0 dist 6.57273 5.78342 8.49799 7.05804 8.79428 6.8692 10.103 6.77699 11.328 6.99769 14.5387 12.4832 11.5752 9.05276 9.14278 numMergedOcc 0
82 mol 224 unq 11 iso 0 dist 6.60589 6.65832 6.77699 5.76843 8.79428 6.99769 9.16166 8.49799 11.328 6.8692 10.8507 7.38836 5.91654 9.25617 10.6079 numMergedOcc 0
83 mol 224 unq 12 iso 0 dist 6.60589 6.65832 6.77699 5.76843 8.79428 6.99769 9.16166 8.49799 11.328 6.8692 13.4196 12.4832 9.14278 9.05276 11.5752 numMergedOcc 0
84 mol 224 unq 13 iso 0 dist 6.60589 9.16166 8.49799 5.76843 8.79428 6.8692 6.65832 6.77699 11.328 6.99769 10.8507 7.38836 10.6079 9.25617 5.91654 numMergedOcc 0
85 mol 224 unq 14 iso 0 dist 6.60589 9.16166 8.49799 5.76843 8.79428 6.8692 6.65832 6.77699 11.328 6.99769 13.4196 12.4832 11.5752 9.05276 9.14278 numMergedOcc 0
86 mol 224 unq 15 iso 0 dist 5.78342 8.95269 11.5372 7.05804 6.8692 13.2325 10.103 11.328 10.9861 6.99769 11.9653 10.6079 11.1545 9.25617 5.91654 numMergedOcc 0
87 mol 224 unq 16 iso 0 dist 5.78342 8.95269 11.5372 7.05804 6.8692 13.2325 10.103 11.328 10.9861 6.99769 14.5387 11.5752 16.8238 9.05276 9.14278 numMergedOcc 0
88 mol 224 unq 17 iso 0 dist 5.78342 8.95269 11.5372 7.05804 6.8692 13.2325 6.57273 8.49799 4.70378 8.79428 11.9653 10.6079 11.1545 9.25617 7.38836 numMergedOcc 0
89 mol 224 unq 18 iso 0 dist 5.78342 8.95269 11.5372 7.05804 6.8692 13.2325 6.57273 8.49799 4.70378 8.79428 14.5387 11.5752 16.8238 9.05276 12.4832 numMergedOcc 0
90 mol 224 unq 19 iso 0 dist 5.78342 6.57273 8.49799 7.05804 6.8692 8.79428 10.103 11.328 6.77699 6.99769 11.9653 10.6079 7.38836 9.25617 5.91654 numMergedOcc 0
91 mol 224 unq 20 iso 0 dist 5.78342 6.57273 8.49799 7.05804 6.8692 8.79428 10.103 11.328 6.77699 6.99769 14.5387 11.5752 12.4832 9.05276 9.14278 numMergedOcc 0
92 mol 224 unq 21 iso 0 dist 9.16166 6.65832 11.328 5.76843 6.8692 6.99769 6.60589 8.49799 6.77699 8.79428 10.8507 10.6079 5.91654 9.25617 7.38836 numMergedOcc 0
93 mol 224 unq 22 iso 0 dist 9.16166 6.65832 11.328 5.76843 6.8692 6.99769 6.60589 8.49799 6.77699 8.79428 13.4196 11.5752 9.14278 9.05276 12.4832 numMergedOcc 0
94 mol 224 unq 23 iso 0 dist 9.16166 6.60589 8.49799 5.76843 6.8692 8.79428 6.65832 11.328 6.77699 6.99769 10.8507 10.6079 7.38836 9.25617 5.91654 numMergedOcc 0
95 mol 224 unq 24 iso 0 dist 9.16166 6.60589 8.49799 5.76843 6.8692 8.79428 6.65832 11.328 6.77699 6.99769 13.4196 11.5752 12.4832 9.05276 9.14278 numMergedOcc 0
96 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 5.0317 5.23634 10.7855 8.65997 5.22356 7.60506 6.91318 7.43071 6.35849 6.00424 9.18728 10.204 numMergedOcc 0
97 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 5.0317 5.23634 10.7855 8.65997 5.22356 7.60506 6.91318 5.41321 10.9607 10.7656 8.91971 9.72615 numMergedOcc 0
98 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 5.0317 5.23634 11.2661 8.65997 5.22356 9.70012 6.91318 7.43071 6.35849 9.76735 9.18728 10.204 numMergedOcc 0
99 mol 227 unq 3 iso 0 dist 7.22101 7.56888 10.8658 5.0317 5.23634 11.2661 8.65997 5.22356 9.70012 6.91318 5.41321 10.9607 5.10635 8.91971 9.72615 numMergedOcc 0
100 mol 227 unq 4 iso 0 dist 7.22101 7.55216 12.4689 5.0317 5.23634 12.3663 8.65997 5.22356 12.9332 6.91318 7.43071 6.35849 9.32448 9.18728 10.204 numMergedOcc 0
101 mol 227 unq 5 iso 0 dist 7.22101 7.55216 12.4689 5.0317 5.23634 12.3663 8.65997 5.22356 12.9332 6.91318 5.41321 10.9607 6.48027 8.91971 9.72615 numMergedOcc 0
102 mol 227 unq 6 iso 0 dist 8.65997 9.34734 7.60506 5.0317 6.91318 10.7855 7.22101 5.22356 6.99063 5.23634 7.43071 10.204 6.00424 9.18728 6.35849 numMergedOcc 0
103 mol 227 unq 7 iso 0 dist 8.65997 9.34734 7.60506 5.0317 6.91318 10.7855 7.22101 5.22356 6.99063 5.23634 5.41321 9.72615 10.7656 8.91971 10.9607 numMergedOcc 0
104 mol 227 unq 8 iso 0 dist 8.65997 7.56888 9.70012 5.0317 6.91318 11.2661 7.22101 5.22356 10.8658 5.23634 7.43071 10.204 9.76735 9.18728 6.35849 numMergedOcc 0
105 mol 227 unq 9 iso 0 dist 8.65997 7.56888 9.70012 5.0317 6.91318 11.2661 7.22101 5.22356 10.8658 5.23634 5.41321 9.72615 5.10635 8.91971 10.9607 numMergedOcc 0
106 mol 227 unq 10 iso 0 dist 8.65997 7.55216 12.9332 5.0317 6.91318 12.3663 7.22101 5.22356 12.4689 5.23634 7.43071 10.204 9.32448 9.18728 6.35849 numMergedOcc 0
107 mol 227 unq 11 iso 0 dist 8.65997 7.55216 12.9332 5.0317 6.91318 12.3663 7.22101 5.22356 12.4689 5.23634 5.41321 9.72615 6.48027 8.91971 10.9607 numMergedOcc 0
108 mol 229 unq 0 iso 0 dist 7.03423 9.06952 6.84129 7.22525 7.27993 11.9869 11.9282 5.1556 10.4478 9.51168 11.1976 6.65022 13.2737 9.37336 5.42069 numMergedOcc 0
109 mol 229 unq 1 iso 0 dist 7.03423 9.06952 6.84129 7.22525 7.27993 11.9869 11.4362 7.0298 10.2557 6.95201 11.1976 6.65022 13.2737 9.37336 10.2411 numMergedOcc 0
110 mol 234 unq 0 iso 0 dist 9.45496 6.56247 5.88703 12.4252 7.81215 11.6391 17.458 10.2693 15.2225 5.64285 17.6227 10.0059 13.8349 7.77911 5.08515 numMergedOcc 0
111 mol 234 unq 1 iso 0 dist 6.7625 9.36357 5.88703 5.75498 7.81215 11.6391 10.701 10.2693 15.2225 5.64285 12.6238 10.0059 13.8349 7.77911 5.08515 numMergedOcc 0
