0 mol 16 unq 0 iso 0 dist 6.31718 6.93532 10.4366 5.01101 11.0298 5.94982 11.6856 16.4761 6.51133 7.65889 5.05803 6.92781 5.30082 6.42835 10.2656 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 6.31718 6.93532 10.4366 5.01101 11.0298 5.94982 5.05803 6.92781 5.30082 6.42835 11.6856 16.4761 6.51133 7.65889 10.2656 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 9.87158 13.3281 9.01564 6.62496 5.30792 9.95364 9.22598 6.35756 5.35073 5.49591 8.96727 4.81926 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 6.86465 8.80614 10.2049 9.87158 13.3281 9.01564 6.35756 5.35073 5.49591 8.96727 6.62496 5.30792 9.95364 9.22598 4.81926 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.70481 9.24757 15.3808 5.70116 12.8207 6.14542 9.96396 14.9342 5.11416 9.73086 6.19304 13.3558 6.56633 7.4369 5.4148 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 8.70481 9.24757 15.3808 5.70116 12.8207 6.14542 6.19304 13.3558 6.56633 7.4369 9.96396 14.9342 5.11416 9.73086 5.4148 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 17.4071 18.6405 16.4267 9.64383 6.10456 8.40073 9.67482 7.54889 13.659 numMergedOcc 0
7 mol 98 unq 0 iso 1 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 6.10456 8.40073 9.67482 7.54889 17.4071 18.6405 16.4267 9.64383 13.659 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 17.4071 18.6405 16.4267 9.64383 10.1136 10.2427 12.0974 7.78931 14.591 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 10.1136 10.2427 12.0974 7.78931 17.4071 18.6405 16.4267 9.64383 14.591 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 6.10456 8.40073 9.67482 7.54889 10.1136 10.2427 12.0974 7.78931 5.02887 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 10.1136 10.2427 12.0974 7.78931 6.10456 8.40073 9.67482 7.54889 5.02887 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 6.48948 9.51923 7.42446 5.92242 6.10456 8.40073 9.67482 5.2571 9.42358 numMergedOcc 0
13 mol 98 unq 2 iso 1 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 6.10456 8.40073 9.67482 5.2571 6.48948 9.51923 7.42446 5.92242 9.42358 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 6.48948 9.51923 7.42446 5.92242 10.1136 10.2427 12.0974 8.7497 13.9786 numMergedOcc 0
15 mol 98 unq 3 iso 1 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 10.1136 10.2427 12.0974 8.7497 6.48948 9.51923 7.42446 5.92242 13.9786 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 6.10456 8.40073 9.67482 5.2571 10.1136 10.2427 12.0974 8.7497 5.02887 numMergedOcc 0
17 mol 98 unq 3 iso 1 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 10.1136 10.2427 12.0974 8.7497 6.10456 8.40073 9.67482 5.2571 5.02887 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 17.4071 14.7899 16.4267 9.64383 6.10456 9.42358 9.67482 7.54889 13.659 numMergedOcc 0
19 mol 98 unq 4 iso 1 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 6.10456 9.42358 9.67482 7.54889 17.4071 14.7899 16.4267 9.64383 13.659 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 17.4071 14.7899 16.4267 9.64383 10.1136 13.9786 12.0974 7.78931 14.591 numMergedOcc 0
21 mol 98 unq 5 iso 1 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 10.1136 13.9786 12.0974 7.78931 17.4071 14.7899 16.4267 9.64383 14.591 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 6.10456 9.42358 9.67482 7.54889 10.1136 13.9786 12.0974 7.78931 5.02887 numMergedOcc 0
23 mol 98 unq 5 iso 1 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 10.1136 13.9786 12.0974 7.78931 6.10456 9.42358 9.67482 7.54889 5.02887 numMergedOcc 0
24 mol 98 unq 6 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 5.08437 9.51923 4.4057 5.10496 6.10456 9.42358 9.67482 5.2571 8.40073 numMergedOcc 0
25 mol 98 unq 6 iso 1 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 6.10456 9.42358 9.67482 5.2571 5.08437 9.51923 4.4057 5.10496 8.40073 numMergedOcc 0
26 mol 98 unq 7 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 5.08437 9.51923 4.4057 5.10496 10.1136 13.9786 12.0974 8.7497 10.2427 numMergedOcc 0
27 mol 98 unq 7 iso 1 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 10.1136 13.9786 12.0974 8.7497 5.08437 9.51923 4.4057 5.10496 10.2427 numMergedOcc 0
28 mol 98 unq 7 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 6.10456 9.42358 9.67482 5.2571 10.1136 13.9786 12.0974 8.7497 5.02887 numMergedOcc 0
29 mol 98 unq 7 iso 1 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 10.1136 13.9786 12.0974 8.7497 6.10456 9.42358 9.67482 5.2571 5.02887 numMergedOcc 0
30 mol 98 unq 8 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 17.4071 13.659 16.4267 9.64383 10.1136 5.02887 12.0974 7.78931 14.591 numMergedOcc 0
31 mol 98 unq 8 iso 1 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 10.1136 5.02887 12.0974 7.78931 17.4071 13.659 16.4267 9.64383 14.591 numMergedOcc 0
32 mol 98 unq 9 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 5.08437 8.40073 4.4057 5.10496 6.48948 9.42358 7.42446 5.92242 9.51923 numMergedOcc 0
33 mol 98 unq 9 iso 1 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 6.48948 9.42358 7.42446 5.92242 5.08437 8.40073 4.4057 5.10496 9.51923 numMergedOcc 0
34 mol 98 unq 10 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 5.08437 8.40073 4.4057 5.10496 10.1136 5.02887 12.0974 8.7497 10.2427 numMergedOcc 0
35 mol 98 unq 10 iso 1 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 10.1136 5.02887 12.0974 8.7497 5.08437 8.40073 4.4057 5.10496 10.2427 numMergedOcc 0
36 mol 98 unq 10 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 6.48948 9.42358 7.42446 5.92242 10.1136 5.02887 12.0974 8.7497 13.9786 numMergedOcc 0
37 mol 98 unq 10 iso 1 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 10.1136 5.02887 12.0974 8.7497 6.48948 9.42358 7.42446 5.92242 13.9786 numMergedOcc 0
38 mol 100 unq 0 iso 0 dist 7.17106 7.01812 8.4128 4.03277 10.5432 6.59691 9.60661 11.5403 5.80144 8.91882 10.1489 10.8586 5.42531 9.21662 10.8375 numMergedOcc 0
39 mol 100 unq 0 iso 1 dist 7.17106 7.01812 8.4128 4.03277 10.5432 6.59691 10.1489 10.8586 5.42531 9.21662 9.60661 11.5403 5.80144 8.91882 10.8375 numMergedOcc 0
40 mol 100 unq 1 iso 0 dist 9.35224 7.01812 10.0456 4.03277 11.5088 6.59691 9.60661 7.80879 5.80144 8.91882 10.1489 15.1999 5.42531 9.21662 10.8375 numMergedOcc 0
41 mol 100 unq 1 iso 1 dist 9.35224 7.01812 10.0456 4.03277 11.5088 6.59691 10.1489 15.1999 5.42531 9.21662 9.60661 7.80879 5.80144 8.91882 10.8375 numMergedOcc 0
42 mol 100 unq 2 iso 0 dist 7.47343 8.30845 12.2861 6.23008 9.76432 6.59691 6.65086 8.8807 5.80144 8.91882 13.2001 16.3949 5.42531 9.21662 10.8375 numMergedOcc 0
43 mol 100 unq 2 iso 1 dist 7.47343 8.30845 12.2861 6.23008 9.76432 6.59691 13.2001 16.3949 5.42531 9.21662 6.65086 8.8807 5.80144 8.91882 10.8375 numMergedOcc 0
44 mol 100 unq 3 iso 0 dist 6.56369 8.30845 10.0456 6.23008 11.5088 6.59691 6.65086 7.80879 5.80144 8.91882 13.2001 15.1999 5.42531 9.21662 10.8375 numMergedOcc 0
45 mol 100 unq 3 iso 1 dist 6.56369 8.30845 10.0456 6.23008 11.5088 6.59691 13.2001 15.1999 5.42531 9.21662 6.65086 7.80879 5.80144 8.91882 10.8375 numMergedOcc 0
46 mol 100 unq 4 iso 0 dist 9.30209 8.30845 6.70236 6.23008 11.6812 6.59691 6.65086 5.38414 5.80144 8.91882 13.2001 11.2306 5.42531 9.21662 10.8375 numMergedOcc 0
47 mol 100 unq 4 iso 1 dist 9.30209 8.30845 6.70236 6.23008 11.6812 6.59691 13.2001 11.2306 5.42531 9.21662 6.65086 5.38414 5.80144 8.91882 10.8375 numMergedOcc 0
48 mol 119 unq 0 iso 0 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 10.1813 10.9871 10.8661 6.99446 9.72413 9.93257 12.0175 7.64052 4.85907 numMergedOcc 0
49 mol 119 unq 0 iso 1 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 9.72413 9.93257 12.0175 7.64052 10.1813 10.9871 10.8661 6.99446 4.85907 numMergedOcc 0
50 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 13.8307 9.51251 7.1797 9.66543 11.9139 6.86927 4.57832 7.21868 5.62899 numMergedOcc 0
51 mol 134 unq 0 iso 1 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 11.9139 6.86927 4.57832 7.21868 13.8307 9.51251 7.1797 9.66543 5.62899 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 13.8307 9.51251 7.1797 9.66543 9.5126 7.11631 5.29786 7.93372 10.7144 numMergedOcc 0
53 mol 134 unq 1 iso 1 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 9.5126 7.11631 5.29786 7.93372 13.8307 9.51251 7.1797 9.66543 10.7144 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 11.9139 6.86927 4.57832 7.21868 9.5126 7.11631 5.29786 7.93372 5.49782 numMergedOcc 0
55 mol 134 unq 1 iso 1 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 9.5126 7.11631 5.29786 7.93372 11.9139 6.86927 4.57832 7.21868 5.49782 numMergedOcc 0
56 mol 134 unq 2 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 13.8307 12.8168 7.1797 9.66543 11.9139 8.80819 4.57832 7.21868 5.62899 numMergedOcc 0
57 mol 134 unq 2 iso 1 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 11.9139 8.80819 4.57832 7.21868 13.8307 12.8168 7.1797 9.66543 5.62899 numMergedOcc 0
58 mol 134 unq 3 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 13.8307 12.8168 7.1797 9.66543 9.5126 5.00817 5.29786 7.93372 10.7144 numMergedOcc 0
59 mol 134 unq 3 iso 1 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 9.5126 5.00817 5.29786 7.93372 13.8307 12.8168 7.1797 9.66543 10.7144 numMergedOcc 0
60 mol 134 unq 3 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 11.9139 8.80819 4.57832 7.21868 9.5126 5.00817 5.29786 7.93372 5.49782 numMergedOcc 0
61 mol 134 unq 3 iso 1 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 9.5126 5.00817 5.29786 7.93372 11.9139 8.80819 4.57832 7.21868 5.49782 numMergedOcc 0
62 mol 134 unq 4 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 11.7385 5.62899 7.1797 9.66543 6.37586 5.49782 5.29786 7.93372 10.7144 numMergedOcc 0
63 mol 134 unq 4 iso 1 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 6.37586 5.49782 5.29786 7.93372 11.7385 5.62899 7.1797 9.66543 10.7144 numMergedOcc 0
64 mol 134 unq 5 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 11.7385 10.7144 7.1797 9.66543 8.94367 5.49782 4.57832 7.21868 5.62899 numMergedOcc 0
65 mol 134 unq 5 iso 1 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 8.94367 5.49782 4.57832 7.21868 11.7385 10.7144 7.1797 9.66543 5.62899 numMergedOcc 0
66 mol 134 unq 6 iso 0 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 11.7385 12.8168 7.1797 9.66543 8.94367 8.80819 4.57832 7.21868 5.62899 numMergedOcc 0
67 mol 134 unq 6 iso 1 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 8.94367 8.80819 4.57832 7.21868 11.7385 12.8168 7.1797 9.66543 5.62899 numMergedOcc 0
68 mol 134 unq 7 iso 0 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 11.7385 12.8168 7.1797 9.66543 6.37586 5.00817 5.29786 7.93372 10.7144 numMergedOcc 0
69 mol 134 unq 7 iso 1 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 6.37586 5.00817 5.29786 7.93372 11.7385 12.8168 7.1797 9.66543 10.7144 numMergedOcc 0
70 mol 134 unq 7 iso 0 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 8.94367 8.80819 4.57832 7.21868 6.37586 5.00817 5.29786 7.93372 5.49782 numMergedOcc 0
71 mol 134 unq 7 iso 1 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 6.37586 5.00817 5.29786 7.93372 8.94367 8.80819 4.57832 7.21868 5.49782 numMergedOcc 0
72 mol 134 unq 8 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 11.3835 5.62899 7.1797 9.66543 9.71307 5.49782 5.29786 7.93372 10.7144 numMergedOcc 0
73 mol 134 unq 8 iso 1 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 9.71307 5.49782 5.29786 7.93372 11.3835 5.62899 7.1797 9.66543 10.7144 numMergedOcc 0
74 mol 134 unq 9 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 11.3835 10.7144 7.1797 9.66543 9.86662 5.49782 4.57832 7.21868 5.62899 numMergedOcc 0
75 mol 134 unq 9 iso 1 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 9.86662 5.49782 4.57832 7.21868 11.3835 10.7144 7.1797 9.66543 5.62899 numMergedOcc 0
76 mol 227 unq 0 iso 0 dist 9.34734 7.43071 6.00424 5.0317 10.7855 9.18728 7.22101 6.99063 6.35849 5.23634 8.65997 7.60506 10.204 6.91318 5.22356 numMergedOcc 0
77 mol 227 unq 0 iso 1 dist 9.34734 7.43071 6.00424 5.0317 10.7855 9.18728 8.65997 7.60506 10.204 6.91318 7.22101 6.99063 6.35849 5.23634 5.22356 numMergedOcc 0
78 mol 227 unq 1 iso 0 dist 9.34734 5.41321 10.7656 5.0317 10.7855 8.91971 7.22101 6.99063 10.9607 5.23634 8.65997 7.60506 9.72615 6.91318 5.22356 numMergedOcc 0
79 mol 227 unq 1 iso 1 dist 9.34734 5.41321 10.7656 5.0317 10.7855 8.91971 8.65997 7.60506 9.72615 6.91318 7.22101 6.99063 10.9607 5.23634 5.22356 numMergedOcc 0
80 mol 227 unq 2 iso 0 dist 7.56888 7.43071 9.76735 5.0317 11.2661 9.18728 7.22101 10.8658 6.35849 5.23634 8.65997 9.70012 10.204 6.91318 5.22356 numMergedOcc 0
81 mol 227 unq 2 iso 1 dist 7.56888 7.43071 9.76735 5.0317 11.2661 9.18728 8.65997 9.70012 10.204 6.91318 7.22101 10.8658 6.35849 5.23634 5.22356 numMergedOcc 0
82 mol 227 unq 3 iso 0 dist 7.56888 5.41321 5.10635 5.0317 11.2661 8.91971 7.22101 10.8658 10.9607 5.23634 8.65997 9.70012 9.72615 6.91318 5.22356 numMergedOcc 0
83 mol 227 unq 3 iso 1 dist 7.56888 5.41321 5.10635 5.0317 11.2661 8.91971 8.65997 9.70012 9.72615 6.91318 7.22101 10.8658 10.9607 5.23634 5.22356 numMergedOcc 0
84 mol 227 unq 4 iso 0 dist 7.55216 7.43071 9.32448 5.0317 12.3663 9.18728 7.22101 12.4689 6.35849 5.23634 8.65997 12.9332 10.204 6.91318 5.22356 numMergedOcc 0
85 mol 227 unq 4 iso 1 dist 7.55216 7.43071 9.32448 5.0317 12.3663 9.18728 8.65997 12.9332 10.204 6.91318 7.22101 12.4689 6.35849 5.23634 5.22356 numMergedOcc 0
86 mol 227 unq 5 iso 0 dist 7.55216 5.41321 6.48027 5.0317 12.3663 8.91971 7.22101 12.4689 10.9607 5.23634 8.65997 12.9332 9.72615 6.91318 5.22356 numMergedOcc 0
87 mol 227 unq 5 iso 1 dist 7.55216 5.41321 6.48027 5.0317 12.3663 8.91971 8.65997 12.9332 9.72615 6.91318 7.22101 12.4689 10.9607 5.23634 5.22356 numMergedOcc 0
88 mol 229 unq 0 iso 0 dist 8.22528 8.66332 6.65022 5.70473 7.27993 9.37336 11.3979 5.1556 5.42069 9.51168 11.7165 7.0298 10.2411 6.95201 6.54885 numMergedOcc 0
89 mol 229 unq 0 iso 1 dist 8.22528 8.66332 6.65022 5.70473 7.27993 9.37336 11.7165 7.0298 10.2411 6.95201 11.3979 5.1556 5.42069 9.51168 6.54885 numMergedOcc 0
90 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 13.1872 17.3846 7.77911 10.3625 16.814 10.0059 7.81215 11.0622 12.7009 5.08515 5.64285 10.2693 numMergedOcc 0
91 mol 234 unq 0 iso 1 dist 8.41436 7.32499 10.7902 13.1872 17.3846 7.77911 11.0622 12.7009 5.08515 5.64285 10.3625 16.814 10.0059 7.81215 10.2693 numMergedOcc 0
92 mol 234 unq 1 iso 0 dist 8.92474 7.32499 4.4288 13.1872 11.3419 7.77911 10.3625 14.1297 10.0059 7.81215 11.0622 6.87903 5.08515 5.64285 10.2693 numMergedOcc 0
93 mol 234 unq 1 iso 1 dist 8.92474 7.32499 4.4288 13.1872 11.3419 7.77911 11.0622 6.87903 5.08515 5.64285 10.3625 14.1297 10.0059 7.81215 10.2693 numMergedOcc 0
