0 mol 54 unq 0 iso 0 dist 6.10175 5.65405 5.59773 14.4402 13.9079 9.5589 10.5929 10.4238 6.83299 5.08001 6.54183 10.1356 8.10861 16.3192 14.2075 numMergedOcc 0
1 mol 54 unq 0 iso 1 dist 6.10175 5.65405 5.59773 14.4402 13.9079 9.5589 6.54183 10.1356 8.10861 16.3192 10.5929 10.4238 6.83299 5.08001 14.2075 numMergedOcc 0
2 mol 54 unq 0 iso 2 dist 6.10175 5.65405 5.59773 10.5929 10.4238 6.83299 14.4402 13.9079 9.5589 5.08001 6.54183 10.1356 8.10861 14.2075 16.3192 numMergedOcc 0
3 mol 54 unq 0 iso 3 dist 6.10175 5.65405 5.59773 10.5929 10.4238 6.83299 6.54183 10.1356 8.10861 14.2075 14.4402 13.9079 9.5589 5.08001 16.3192 numMergedOcc 0
4 mol 54 unq 0 iso 4 dist 6.10175 5.65405 5.59773 6.54183 10.1356 8.10861 14.4402 13.9079 9.5589 16.3192 10.5929 10.4238 6.83299 14.2075 5.08001 numMergedOcc 0
5 mol 54 unq 0 iso 5 dist 6.10175 5.65405 5.59773 6.54183 10.1356 8.10861 10.5929 10.4238 6.83299 14.2075 14.4402 13.9079 9.5589 16.3192 5.08001 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 14.2472 10.9885 9.25011 4.73512 12.177 9.96073 6.43294 10.6819 11.3621 numMergedOcc 0
7 mol 60 unq 0 iso 1 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 12.177 9.96073 6.43294 10.6819 14.2472 10.9885 9.25011 4.73512 11.3621 numMergedOcc 0
8 mol 60 unq 0 iso 2 dist 4.96897 6.96065 5.83937 14.2472 10.9885 9.25011 9.92844 6.62193 6.65595 4.73512 12.177 9.96073 6.43294 11.3621 10.6819 numMergedOcc 0
9 mol 60 unq 0 iso 3 dist 4.96897 6.96065 5.83937 14.2472 10.9885 9.25011 12.177 9.96073 6.43294 11.3621 9.92844 6.62193 6.65595 4.73512 10.6819 numMergedOcc 0
10 mol 60 unq 0 iso 4 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 9.92844 6.62193 6.65595 10.6819 14.2472 10.9885 9.25011 11.3621 4.73512 numMergedOcc 0
11 mol 60 unq 0 iso 5 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.2472 10.9885 9.25011 11.3621 9.92844 6.62193 6.65595 10.6819 4.73512 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 14.2472 10.9885 9.25011 4.73512 14.7815 11.2445 8.52121 8.93946 7.66664 numMergedOcc 0
13 mol 60 unq 1 iso 1 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 14.7815 11.2445 8.52121 8.93946 14.2472 10.9885 9.25011 4.73512 7.66664 numMergedOcc 0
14 mol 60 unq 1 iso 2 dist 4.96897 6.96065 5.83937 14.2472 10.9885 9.25011 9.92844 6.62193 6.65595 4.73512 14.7815 11.2445 8.52121 7.66664 8.93946 numMergedOcc 0
15 mol 60 unq 1 iso 3 dist 4.96897 6.96065 5.83937 14.2472 10.9885 9.25011 14.7815 11.2445 8.52121 7.66664 9.92844 6.62193 6.65595 4.73512 8.93946 numMergedOcc 0
16 mol 60 unq 1 iso 4 dist 4.96897 6.96065 5.83937 14.7815 11.2445 8.52121 9.92844 6.62193 6.65595 8.93946 14.2472 10.9885 9.25011 7.66664 4.73512 numMergedOcc 0
17 mol 60 unq 1 iso 5 dist 4.96897 6.96065 5.83937 14.7815 11.2445 8.52121 14.2472 10.9885 9.25011 7.66664 9.92844 6.62193 6.65595 8.93946 4.73512 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 12.177 9.96073 6.43294 10.6819 14.7815 11.2445 8.52121 8.93946 5.51199 numMergedOcc 0
19 mol 60 unq 1 iso 1 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 14.7815 11.2445 8.52121 8.93946 12.177 9.96073 6.43294 10.6819 5.51199 numMergedOcc 0
20 mol 60 unq 1 iso 2 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 9.92844 6.62193 6.65595 10.6819 14.7815 11.2445 8.52121 5.51199 8.93946 numMergedOcc 0
21 mol 60 unq 1 iso 3 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.7815 11.2445 8.52121 5.51199 9.92844 6.62193 6.65595 10.6819 8.93946 numMergedOcc 0
22 mol 60 unq 1 iso 4 dist 4.96897 6.96065 5.83937 14.7815 11.2445 8.52121 9.92844 6.62193 6.65595 8.93946 12.177 9.96073 6.43294 5.51199 10.6819 numMergedOcc 0
23 mol 60 unq 1 iso 5 dist 4.96897 6.96065 5.83937 14.7815 11.2445 8.52121 12.177 9.96073 6.43294 5.51199 9.92844 6.62193 6.65595 8.93946 10.6819 numMergedOcc 0
24 mol 60 unq 1 iso 0 dist 4.96897 6.96065 5.83937 14.2472 10.9885 9.25011 12.177 9.96073 6.43294 11.3621 14.7815 11.2445 8.52121 7.66664 5.51199 numMergedOcc 0
25 mol 60 unq 1 iso 1 dist 4.96897 6.96065 5.83937 14.2472 10.9885 9.25011 14.7815 11.2445 8.52121 7.66664 12.177 9.96073 6.43294 11.3621 5.51199 numMergedOcc 0
26 mol 60 unq 1 iso 2 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.2472 10.9885 9.25011 11.3621 14.7815 11.2445 8.52121 5.51199 7.66664 numMergedOcc 0
27 mol 60 unq 1 iso 3 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.7815 11.2445 8.52121 5.51199 14.2472 10.9885 9.25011 11.3621 7.66664 numMergedOcc 0
28 mol 60 unq 1 iso 4 dist 4.96897 6.96065 5.83937 14.7815 11.2445 8.52121 14.2472 10.9885 9.25011 7.66664 12.177 9.96073 6.43294 5.51199 11.3621 numMergedOcc 0
29 mol 60 unq 1 iso 5 dist 4.96897 6.96065 5.83937 14.7815 11.2445 8.52121 12.177 9.96073 6.43294 5.51199 14.2472 10.9885 9.25011 7.66664 11.3621 numMergedOcc 0
30 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 8.124 5.2774 6.19304 5.4148 19.5696 13.9156 8.70481 14.9342 13.3558 numMergedOcc 0
31 mol 73 unq 0 iso 1 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 19.5696 13.9156 8.70481 14.9342 8.124 5.2774 6.19304 5.4148 13.3558 numMergedOcc 0
32 mol 73 unq 0 iso 2 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 10.1112 10.4716 9.96396 5.4148 19.5696 13.9156 8.70481 13.3558 14.9342 numMergedOcc 0
33 mol 73 unq 0 iso 3 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 19.5696 13.9156 8.70481 13.3558 10.1112 10.4716 9.96396 5.4148 14.9342 numMergedOcc 0
34 mol 73 unq 0 iso 4 dist 7.84699 13.4367 6.89722 19.5696 13.9156 8.70481 10.1112 10.4716 9.96396 14.9342 8.124 5.2774 6.19304 13.3558 5.4148 numMergedOcc 0
35 mol 73 unq 0 iso 5 dist 7.84699 13.4367 6.89722 19.5696 13.9156 8.70481 8.124 5.2774 6.19304 13.3558 10.1112 10.4716 9.96396 14.9342 5.4148 numMergedOcc 0
36 mol 73 unq 1 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 8.124 5.44275 6.19304 5.4148 19.5696 11.2674 8.70481 14.9342 13.3558 numMergedOcc 0
37 mol 73 unq 1 iso 1 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 19.5696 11.2674 8.70481 14.9342 8.124 5.44275 6.19304 5.4148 13.3558 numMergedOcc 0
38 mol 73 unq 1 iso 2 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 10.1112 8.31041 9.96396 5.4148 19.5696 11.2674 8.70481 13.3558 14.9342 numMergedOcc 0
39 mol 73 unq 1 iso 3 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 19.5696 11.2674 8.70481 13.3558 10.1112 8.31041 9.96396 5.4148 14.9342 numMergedOcc 0
40 mol 73 unq 1 iso 4 dist 8.40844 13.4367 7.26679 19.5696 11.2674 8.70481 10.1112 8.31041 9.96396 14.9342 8.124 5.44275 6.19304 13.3558 5.4148 numMergedOcc 0
41 mol 73 unq 1 iso 5 dist 8.40844 13.4367 7.26679 19.5696 11.2674 8.70481 8.124 5.44275 6.19304 13.3558 10.1112 8.31041 9.96396 14.9342 5.4148 numMergedOcc 0
42 mol 73 unq 2 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 10.9082 5.44275 6.19304 5.4148 8.16299 11.2674 8.70481 14.9342 13.3558 numMergedOcc 0
43 mol 73 unq 2 iso 1 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 8.16299 11.2674 8.70481 14.9342 10.9082 5.44275 6.19304 5.4148 13.3558 numMergedOcc 0
44 mol 73 unq 2 iso 2 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 11.0108 8.31041 9.96396 5.4148 8.16299 11.2674 8.70481 13.3558 14.9342 numMergedOcc 0
45 mol 73 unq 2 iso 3 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 8.16299 11.2674 8.70481 13.3558 11.0108 8.31041 9.96396 5.4148 14.9342 numMergedOcc 0
46 mol 73 unq 2 iso 4 dist 7.02351 10.3774 7.26679 8.16299 11.2674 8.70481 11.0108 8.31041 9.96396 14.9342 10.9082 5.44275 6.19304 13.3558 5.4148 numMergedOcc 0
47 mol 73 unq 2 iso 5 dist 7.02351 10.3774 7.26679 8.16299 11.2674 8.70481 10.9082 5.44275 6.19304 13.3558 11.0108 8.31041 9.96396 14.9342 5.4148 numMergedOcc 0
48 mol 73 unq 3 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 11.801 5.2774 6.19304 5.4148 12.2721 13.9156 8.70481 14.9342 13.3558 numMergedOcc 0
49 mol 73 unq 3 iso 1 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 12.2721 13.9156 8.70481 14.9342 11.801 5.2774 6.19304 5.4148 13.3558 numMergedOcc 0
50 mol 73 unq 3 iso 2 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 16.3948 10.4716 9.96396 5.4148 12.2721 13.9156 8.70481 13.3558 14.9342 numMergedOcc 0
51 mol 73 unq 3 iso 3 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 12.2721 13.9156 8.70481 13.3558 16.3948 10.4716 9.96396 5.4148 14.9342 numMergedOcc 0
52 mol 73 unq 3 iso 4 dist 7.53504 9.64124 6.89722 12.2721 13.9156 8.70481 16.3948 10.4716 9.96396 14.9342 11.801 5.2774 6.19304 13.3558 5.4148 numMergedOcc 0
53 mol 73 unq 3 iso 5 dist 7.53504 9.64124 6.89722 12.2721 13.9156 8.70481 11.801 5.2774 6.19304 13.3558 16.3948 10.4716 9.96396 14.9342 5.4148 numMergedOcc 0
54 mol 73 unq 4 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 11.801 5.44275 6.19304 5.4148 12.2721 11.2674 8.70481 14.9342 13.3558 numMergedOcc 0
55 mol 73 unq 4 iso 1 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 12.2721 11.2674 8.70481 14.9342 11.801 5.44275 6.19304 5.4148 13.3558 numMergedOcc 0
56 mol 73 unq 4 iso 2 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 16.3948 8.31041 9.96396 5.4148 12.2721 11.2674 8.70481 13.3558 14.9342 numMergedOcc 0
57 mol 73 unq 4 iso 3 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 12.2721 11.2674 8.70481 13.3558 16.3948 8.31041 9.96396 5.4148 14.9342 numMergedOcc 0
58 mol 73 unq 4 iso 4 dist 8.66342 9.64124 7.26679 12.2721 11.2674 8.70481 16.3948 8.31041 9.96396 14.9342 11.801 5.44275 6.19304 13.3558 5.4148 numMergedOcc 0
59 mol 73 unq 4 iso 5 dist 8.66342 9.64124 7.26679 12.2721 11.2674 8.70481 11.801 5.44275 6.19304 13.3558 16.3948 8.31041 9.96396 14.9342 5.4148 numMergedOcc 0
60 mol 117 unq 0 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 11.0698 14.2649 7.83136 7.22206 10.5123 9.53886 7.0603 9.3584 7.21564 numMergedOcc 0
61 mol 117 unq 0 iso 1 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 10.5123 9.53886 7.0603 9.3584 11.0698 14.2649 7.83136 7.22206 7.21564 numMergedOcc 0
62 mol 117 unq 0 iso 2 dist 8.30003 5.21051 9.85576 11.0698 14.2649 7.83136 7.0318 10.4589 7.90328 7.22206 10.5123 9.53886 7.0603 7.21564 9.3584 numMergedOcc 0
63 mol 117 unq 0 iso 3 dist 8.30003 5.21051 9.85576 11.0698 14.2649 7.83136 10.5123 9.53886 7.0603 7.21564 7.0318 10.4589 7.90328 7.22206 9.3584 numMergedOcc 0
64 mol 117 unq 0 iso 4 dist 8.30003 5.21051 9.85576 10.5123 9.53886 7.0603 7.0318 10.4589 7.90328 9.3584 11.0698 14.2649 7.83136 7.21564 7.22206 numMergedOcc 0
65 mol 117 unq 0 iso 5 dist 8.30003 5.21051 9.85576 10.5123 9.53886 7.0603 11.0698 14.2649 7.83136 7.21564 7.0318 10.4589 7.90328 9.3584 7.22206 numMergedOcc 0
66 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 13.2109 12.288 7.73169 5.50998 13.7988 14.2067 8.96657 11.1395 5.92693 numMergedOcc 0
67 mol 142 unq 0 iso 1 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 13.7988 14.2067 8.96657 11.1395 13.2109 12.288 7.73169 5.50998 5.92693 numMergedOcc 0
68 mol 142 unq 0 iso 2 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 14.3662 13.1936 9.2313 5.50998 13.7988 14.2067 8.96657 5.92693 11.1395 numMergedOcc 0
69 mol 142 unq 0 iso 3 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 13.7988 14.2067 8.96657 5.92693 14.3662 13.1936 9.2313 5.50998 11.1395 numMergedOcc 0
70 mol 142 unq 0 iso 4 dist 5.1557 6.01403 7.57458 13.7988 14.2067 8.96657 14.3662 13.1936 9.2313 11.1395 13.2109 12.288 7.73169 5.92693 5.50998 numMergedOcc 0
71 mol 142 unq 0 iso 5 dist 5.1557 6.01403 7.57458 13.7988 14.2067 8.96657 13.2109 12.288 7.73169 5.92693 14.3662 13.1936 9.2313 11.1395 5.50998 numMergedOcc 0
72 mol 142 unq 1 iso 0 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 10.5719 12.288 7.73169 5.50998 15.3413 14.2067 8.96657 11.1395 5.92693 numMergedOcc 0
73 mol 142 unq 1 iso 1 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 15.3413 14.2067 8.96657 11.1395 10.5719 12.288 7.73169 5.50998 5.92693 numMergedOcc 0
74 mol 142 unq 1 iso 2 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 7.15087 13.1936 9.2313 5.50998 15.3413 14.2067 8.96657 5.92693 11.1395 numMergedOcc 0
75 mol 142 unq 1 iso 3 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 15.3413 14.2067 8.96657 5.92693 7.15087 13.1936 9.2313 5.50998 11.1395 numMergedOcc 0
76 mol 142 unq 1 iso 4 dist 9.5355 8.68855 7.57458 15.3413 14.2067 8.96657 7.15087 13.1936 9.2313 11.1395 10.5719 12.288 7.73169 5.92693 5.50998 numMergedOcc 0
77 mol 142 unq 1 iso 5 dist 9.5355 8.68855 7.57458 15.3413 14.2067 8.96657 10.5719 12.288 7.73169 5.92693 7.15087 13.1936 9.2313 11.1395 5.50998 numMergedOcc 0
78 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 15.3848 9.66339 8.56324 16.0753 13.9994 6.70283 7.65448 16.0158 14.2552 7.16148 10.6875 5.49936 numMergedOcc 0
79 mol 152 unq 0 iso 1 dist 8.84852 9.50073 9.10619 15.3848 9.66339 8.56324 16.0158 14.2552 7.16148 10.6875 16.0753 13.9994 6.70283 7.65448 5.49936 numMergedOcc 0
80 mol 152 unq 0 iso 2 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 15.3848 9.66339 8.56324 7.65448 16.0158 14.2552 7.16148 5.49936 10.6875 numMergedOcc 0
81 mol 152 unq 0 iso 3 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 16.0158 14.2552 7.16148 5.49936 15.3848 9.66339 8.56324 7.65448 10.6875 numMergedOcc 0
82 mol 152 unq 0 iso 4 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 15.3848 9.66339 8.56324 10.6875 16.0753 13.9994 6.70283 5.49936 7.65448 numMergedOcc 0
83 mol 152 unq 0 iso 5 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 16.0753 13.9994 6.70283 5.49936 15.3848 9.66339 8.56324 10.6875 7.65448 numMergedOcc 0
84 mol 156 unq 0 iso 0 dist 6.67598 5.66289 7.30021 9.19499 5.0966 7.44554 7.11647 5.75141 8.94056 5.56175 13.581 12.865 9.83699 8.38403 11.2719 numMergedOcc 0
85 mol 156 unq 0 iso 1 dist 6.67598 5.66289 7.30021 9.19499 5.0966 7.44554 13.581 12.865 9.83699 8.38403 7.11647 5.75141 8.94056 5.56175 11.2719 numMergedOcc 0
86 mol 156 unq 0 iso 2 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 9.19499 5.0966 7.44554 5.56175 13.581 12.865 9.83699 11.2719 8.38403 numMergedOcc 0
87 mol 156 unq 0 iso 3 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 13.581 12.865 9.83699 11.2719 9.19499 5.0966 7.44554 5.56175 8.38403 numMergedOcc 0
88 mol 156 unq 0 iso 4 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 9.19499 5.0966 7.44554 8.38403 7.11647 5.75141 8.94056 11.2719 5.56175 numMergedOcc 0
89 mol 156 unq 0 iso 5 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 7.11647 5.75141 8.94056 11.2719 9.19499 5.0966 7.44554 8.38403 5.56175 numMergedOcc 0
90 mol 156 unq 1 iso 0 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 13.465 5.75141 8.94056 5.56175 16.944 12.865 9.83699 8.38403 11.2719 numMergedOcc 0
91 mol 156 unq 1 iso 1 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 16.944 12.865 9.83699 8.38403 13.465 5.75141 8.94056 5.56175 11.2719 numMergedOcc 0
92 mol 156 unq 1 iso 2 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 9.97623 5.0966 7.44554 5.56175 16.944 12.865 9.83699 11.2719 8.38403 numMergedOcc 0
93 mol 156 unq 1 iso 3 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 16.944 12.865 9.83699 11.2719 9.97623 5.0966 7.44554 5.56175 8.38403 numMergedOcc 0
94 mol 156 unq 1 iso 4 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 9.97623 5.0966 7.44554 8.38403 13.465 5.75141 8.94056 11.2719 5.56175 numMergedOcc 0
95 mol 156 unq 1 iso 5 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 13.465 5.75141 8.94056 11.2719 9.97623 5.0966 7.44554 8.38403 5.56175 numMergedOcc 0
96 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 13.6328 12.4611 9.65138 11.6154 11.832 7.14453 9.10746 11.5105 10.644 8.85478 4.40923 11.3796 numMergedOcc 0
97 mol 214 unq 0 iso 1 dist 5.69733 5.68711 8.49704 13.6328 12.4611 9.65138 11.5105 10.644 8.85478 4.40923 11.6154 11.832 7.14453 9.10746 11.3796 numMergedOcc 0
98 mol 214 unq 0 iso 2 dist 5.69733 5.68711 8.49704 11.6154 11.832 7.14453 13.6328 12.4611 9.65138 9.10746 11.5105 10.644 8.85478 11.3796 4.40923 numMergedOcc 0
99 mol 214 unq 0 iso 3 dist 5.69733 5.68711 8.49704 11.6154 11.832 7.14453 11.5105 10.644 8.85478 11.3796 13.6328 12.4611 9.65138 9.10746 4.40923 numMergedOcc 0
100 mol 214 unq 0 iso 4 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 13.6328 12.4611 9.65138 4.40923 11.6154 11.832 7.14453 11.3796 9.10746 numMergedOcc 0
101 mol 214 unq 0 iso 5 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 11.6154 11.832 7.14453 11.3796 13.6328 12.4611 9.65138 4.40923 9.10746 numMergedOcc 0
102 mol 224 unq 0 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 12.0295 7.18448 9.16166 5.0744 9.11052 6.38066 5.81334 5.60236 6.91102 numMergedOcc 0
103 mol 224 unq 0 iso 1 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 9.11052 6.38066 5.81334 5.60236 12.0295 7.18448 9.16166 5.0744 6.91102 numMergedOcc 0
104 mol 224 unq 0 iso 2 dist 9.2 5.44863 9.29703 12.0295 7.18448 9.16166 7.07564 4.8786 5.78342 5.0744 9.11052 6.38066 5.81334 6.91102 5.60236 numMergedOcc 0
105 mol 224 unq 0 iso 3 dist 9.2 5.44863 9.29703 12.0295 7.18448 9.16166 9.11052 6.38066 5.81334 6.91102 7.07564 4.8786 5.78342 5.0744 5.60236 numMergedOcc 0
106 mol 224 unq 0 iso 4 dist 9.2 5.44863 9.29703 9.11052 6.38066 5.81334 7.07564 4.8786 5.78342 5.60236 12.0295 7.18448 9.16166 6.91102 5.0744 numMergedOcc 0
107 mol 224 unq 0 iso 5 dist 9.2 5.44863 9.29703 9.11052 6.38066 5.81334 12.0295 7.18448 9.16166 6.91102 7.07564 4.8786 5.78342 5.60236 5.0744 numMergedOcc 0
108 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 12.9898 14.9329 7.22101 6.99063 14.1659 13.2783 8.65997 7.60506 5.22356 numMergedOcc 0
109 mol 227 unq 0 iso 1 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 14.1659 13.2783 8.65997 7.60506 12.9898 14.9329 7.22101 6.99063 5.22356 numMergedOcc 0
110 mol 227 unq 0 iso 2 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1483 16.2594 9.34734 6.99063 14.1659 13.2783 8.65997 5.22356 7.60506 numMergedOcc 0
111 mol 227 unq 0 iso 3 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1659 13.2783 8.65997 5.22356 14.1483 16.2594 9.34734 6.99063 7.60506 numMergedOcc 0
112 mol 227 unq 0 iso 4 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 14.1483 16.2594 9.34734 7.60506 12.9898 14.9329 7.22101 5.22356 6.99063 numMergedOcc 0
113 mol 227 unq 0 iso 5 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 12.9898 14.9329 7.22101 5.22356 14.1483 16.2594 9.34734 7.60506 6.99063 numMergedOcc 0
114 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 12.9898 14.9329 7.22101 6.99063 9.8971 10.6504 7.56888 7.43198 10.8658 numMergedOcc 0
115 mol 227 unq 1 iso 1 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 9.8971 10.6504 7.56888 7.43198 12.9898 14.9329 7.22101 6.99063 10.8658 numMergedOcc 0
116 mol 227 unq 1 iso 2 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1483 16.2594 9.34734 6.99063 9.8971 10.6504 7.56888 10.8658 7.43198 numMergedOcc 0
117 mol 227 unq 1 iso 3 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 9.8971 10.6504 7.56888 10.8658 14.1483 16.2594 9.34734 6.99063 7.43198 numMergedOcc 0
118 mol 227 unq 1 iso 4 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1483 16.2594 9.34734 7.43198 12.9898 14.9329 7.22101 10.8658 6.99063 numMergedOcc 0
119 mol 227 unq 1 iso 5 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 12.9898 14.9329 7.22101 10.8658 14.1483 16.2594 9.34734 7.43198 6.99063 numMergedOcc 0
120 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 12.9898 14.9329 7.22101 6.99063 7.71761 11.4528 7.55216 9.51866 12.4689 numMergedOcc 0
121 mol 227 unq 2 iso 1 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 7.71761 11.4528 7.55216 9.51866 12.9898 14.9329 7.22101 6.99063 12.4689 numMergedOcc 0
122 mol 227 unq 2 iso 2 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1483 16.2594 9.34734 6.99063 7.71761 11.4528 7.55216 12.4689 9.51866 numMergedOcc 0
123 mol 227 unq 2 iso 3 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 7.71761 11.4528 7.55216 12.4689 14.1483 16.2594 9.34734 6.99063 9.51866 numMergedOcc 0
124 mol 227 unq 2 iso 4 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1483 16.2594 9.34734 9.51866 12.9898 14.9329 7.22101 12.4689 6.99063 numMergedOcc 0
125 mol 227 unq 2 iso 5 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 12.9898 14.9329 7.22101 12.4689 14.1483 16.2594 9.34734 9.51866 6.99063 numMergedOcc 0
126 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 14.1659 13.2783 8.65997 7.60506 9.8971 10.6504 7.56888 7.43198 9.70012 numMergedOcc 0
127 mol 227 unq 1 iso 1 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 9.8971 10.6504 7.56888 7.43198 14.1659 13.2783 8.65997 7.60506 9.70012 numMergedOcc 0
128 mol 227 unq 1 iso 2 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 14.1483 16.2594 9.34734 7.60506 9.8971 10.6504 7.56888 9.70012 7.43198 numMergedOcc 0
129 mol 227 unq 1 iso 3 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 9.8971 10.6504 7.56888 9.70012 14.1483 16.2594 9.34734 7.60506 7.43198 numMergedOcc 0
130 mol 227 unq 1 iso 4 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1483 16.2594 9.34734 7.43198 14.1659 13.2783 8.65997 9.70012 7.60506 numMergedOcc 0
131 mol 227 unq 1 iso 5 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1659 13.2783 8.65997 9.70012 14.1483 16.2594 9.34734 7.43198 7.60506 numMergedOcc 0
132 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 14.1659 13.2783 8.65997 7.60506 7.71761 11.4528 7.55216 9.51866 12.9332 numMergedOcc 0
133 mol 227 unq 2 iso 1 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 7.71761 11.4528 7.55216 9.51866 14.1659 13.2783 8.65997 7.60506 12.9332 numMergedOcc 0
134 mol 227 unq 2 iso 2 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 14.1483 16.2594 9.34734 7.60506 7.71761 11.4528 7.55216 12.9332 9.51866 numMergedOcc 0
135 mol 227 unq 2 iso 3 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 7.71761 11.4528 7.55216 12.9332 14.1483 16.2594 9.34734 7.60506 9.51866 numMergedOcc 0
136 mol 227 unq 2 iso 4 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1483 16.2594 9.34734 9.51866 14.1659 13.2783 8.65997 12.9332 7.60506 numMergedOcc 0
137 mol 227 unq 2 iso 5 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1659 13.2783 8.65997 12.9332 14.1483 16.2594 9.34734 9.51866 7.60506 numMergedOcc 0
138 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 9.8971 10.6504 7.56888 7.43198 7.71761 11.4528 7.55216 9.51866 4.48529 numMergedOcc 0
139 mol 227 unq 2 iso 1 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 7.71761 11.4528 7.55216 9.51866 9.8971 10.6504 7.56888 7.43198 4.48529 numMergedOcc 0
140 mol 227 unq 2 iso 2 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1483 16.2594 9.34734 7.43198 7.71761 11.4528 7.55216 4.48529 9.51866 numMergedOcc 0
141 mol 227 unq 2 iso 3 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 7.71761 11.4528 7.55216 4.48529 14.1483 16.2594 9.34734 7.43198 9.51866 numMergedOcc 0
142 mol 227 unq 2 iso 4 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1483 16.2594 9.34734 9.51866 9.8971 10.6504 7.56888 4.48529 7.43198 numMergedOcc 0
143 mol 227 unq 2 iso 5 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 9.8971 10.6504 7.56888 4.48529 14.1483 16.2594 9.34734 9.51866 7.43198 numMergedOcc 0
144 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1659 13.2783 8.65997 5.22356 9.8971 10.6504 7.56888 10.8658 9.70012 numMergedOcc 0
145 mol 227 unq 1 iso 1 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 9.8971 10.6504 7.56888 10.8658 14.1659 13.2783 8.65997 5.22356 9.70012 numMergedOcc 0
146 mol 227 unq 1 iso 2 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 12.9898 14.9329 7.22101 5.22356 9.8971 10.6504 7.56888 9.70012 10.8658 numMergedOcc 0
147 mol 227 unq 1 iso 3 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 9.8971 10.6504 7.56888 9.70012 12.9898 14.9329 7.22101 5.22356 10.8658 numMergedOcc 0
148 mol 227 unq 1 iso 4 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 12.9898 14.9329 7.22101 10.8658 14.1659 13.2783 8.65997 9.70012 5.22356 numMergedOcc 0
149 mol 227 unq 1 iso 5 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1659 13.2783 8.65997 9.70012 12.9898 14.9329 7.22101 10.8658 5.22356 numMergedOcc 0
150 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1659 13.2783 8.65997 5.22356 7.71761 11.4528 7.55216 12.4689 12.9332 numMergedOcc 0
151 mol 227 unq 2 iso 1 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 7.71761 11.4528 7.55216 12.4689 14.1659 13.2783 8.65997 5.22356 12.9332 numMergedOcc 0
152 mol 227 unq 2 iso 2 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 12.9898 14.9329 7.22101 5.22356 7.71761 11.4528 7.55216 12.9332 12.4689 numMergedOcc 0
153 mol 227 unq 2 iso 3 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 7.71761 11.4528 7.55216 12.9332 12.9898 14.9329 7.22101 5.22356 12.4689 numMergedOcc 0
154 mol 227 unq 2 iso 4 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 12.9898 14.9329 7.22101 12.4689 14.1659 13.2783 8.65997 12.9332 5.22356 numMergedOcc 0
155 mol 227 unq 2 iso 5 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1659 13.2783 8.65997 12.9332 12.9898 14.9329 7.22101 12.4689 5.22356 numMergedOcc 0
156 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 9.8971 10.6504 7.56888 10.8658 7.71761 11.4528 7.55216 12.4689 4.48529 numMergedOcc 0
157 mol 227 unq 2 iso 1 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 7.71761 11.4528 7.55216 12.4689 9.8971 10.6504 7.56888 10.8658 4.48529 numMergedOcc 0
158 mol 227 unq 2 iso 2 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 12.9898 14.9329 7.22101 10.8658 7.71761 11.4528 7.55216 4.48529 12.4689 numMergedOcc 0
159 mol 227 unq 2 iso 3 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 7.71761 11.4528 7.55216 4.48529 12.9898 14.9329 7.22101 10.8658 12.4689 numMergedOcc 0
160 mol 227 unq 2 iso 4 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 12.9898 14.9329 7.22101 12.4689 9.8971 10.6504 7.56888 4.48529 10.8658 numMergedOcc 0
161 mol 227 unq 2 iso 5 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 9.8971 10.6504 7.56888 4.48529 12.9898 14.9329 7.22101 12.4689 10.8658 numMergedOcc 0
162 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 9.8971 10.6504 7.56888 9.70012 7.71761 11.4528 7.55216 12.9332 4.48529 numMergedOcc 0
163 mol 227 unq 2 iso 1 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 7.71761 11.4528 7.55216 12.9332 9.8971 10.6504 7.56888 9.70012 4.48529 numMergedOcc 0
164 mol 227 unq 2 iso 2 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1659 13.2783 8.65997 9.70012 7.71761 11.4528 7.55216 4.48529 12.9332 numMergedOcc 0
165 mol 227 unq 2 iso 3 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 7.71761 11.4528 7.55216 4.48529 14.1659 13.2783 8.65997 9.70012 12.9332 numMergedOcc 0
166 mol 227 unq 2 iso 4 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1659 13.2783 8.65997 12.9332 9.8971 10.6504 7.56888 4.48529 9.70012 numMergedOcc 0
167 mol 227 unq 2 iso 5 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 9.8971 10.6504 7.56888 4.48529 14.1659 13.2783 8.65997 12.9332 9.70012 numMergedOcc 0
168 mol 252 unq 0 iso 0 dist 8.04265 14.8036 9.73021 19.1239 16.5881 8.33025 15.1557 12.5855 9.2288 8.41807 13.0796 5.26867 7.19638 14.9102 11.7918 numMergedOcc 0
169 mol 252 unq 0 iso 1 dist 8.04265 14.8036 9.73021 19.1239 16.5881 8.33025 13.0796 5.26867 7.19638 14.9102 15.1557 12.5855 9.2288 8.41807 11.7918 numMergedOcc 0
170 mol 252 unq 0 iso 2 dist 8.04265 14.8036 9.73021 15.1557 12.5855 9.2288 19.1239 16.5881 8.33025 8.41807 13.0796 5.26867 7.19638 11.7918 14.9102 numMergedOcc 0
171 mol 252 unq 0 iso 3 dist 8.04265 14.8036 9.73021 15.1557 12.5855 9.2288 13.0796 5.26867 7.19638 11.7918 19.1239 16.5881 8.33025 8.41807 14.9102 numMergedOcc 0
172 mol 252 unq 0 iso 4 dist 8.04265 14.8036 9.73021 13.0796 5.26867 7.19638 19.1239 16.5881 8.33025 14.9102 15.1557 12.5855 9.2288 11.7918 8.41807 numMergedOcc 0
173 mol 252 unq 0 iso 5 dist 8.04265 14.8036 9.73021 13.0796 5.26867 7.19638 15.1557 12.5855 9.2288 11.7918 19.1239 16.5881 8.33025 14.9102 8.41807 numMergedOcc 0
174 mol 252 unq 1 iso 0 dist 9.42193 14.864 9.73021 20.6773 16.5881 8.33025 19.2417 12.5855 9.2288 8.41807 13.4304 5.26867 7.19638 14.9102 11.7918 numMergedOcc 0
175 mol 252 unq 1 iso 1 dist 9.42193 14.864 9.73021 20.6773 16.5881 8.33025 13.4304 5.26867 7.19638 14.9102 19.2417 12.5855 9.2288 8.41807 11.7918 numMergedOcc 0
176 mol 252 unq 1 iso 2 dist 9.42193 14.864 9.73021 19.2417 12.5855 9.2288 20.6773 16.5881 8.33025 8.41807 13.4304 5.26867 7.19638 11.7918 14.9102 numMergedOcc 0
177 mol 252 unq 1 iso 3 dist 9.42193 14.864 9.73021 19.2417 12.5855 9.2288 13.4304 5.26867 7.19638 11.7918 20.6773 16.5881 8.33025 8.41807 14.9102 numMergedOcc 0
178 mol 252 unq 1 iso 4 dist 9.42193 14.864 9.73021 13.4304 5.26867 7.19638 20.6773 16.5881 8.33025 14.9102 19.2417 12.5855 9.2288 11.7918 8.41807 numMergedOcc 0
179 mol 252 unq 1 iso 5 dist 9.42193 14.864 9.73021 13.4304 5.26867 7.19638 19.2417 12.5855 9.2288 11.7918 20.6773 16.5881 8.33025 14.9102 8.41807 numMergedOcc 0
180 mol 259 unq 0 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 18.1068 9.10984 7.84554 4.86771 18.6945 11.8501 7.46176 6.96053 7.64658 numMergedOcc 0
181 mol 259 unq 0 iso 1 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 18.6945 11.8501 7.46176 6.96053 18.1068 9.10984 7.84554 4.86771 7.64658 numMergedOcc 0
182 mol 259 unq 0 iso 2 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 13.8844 5.71237 7.88519 4.86771 18.6945 11.8501 7.46176 7.64658 6.96053 numMergedOcc 0
183 mol 259 unq 0 iso 3 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 18.6945 11.8501 7.46176 7.64658 13.8844 5.71237 7.88519 4.86771 6.96053 numMergedOcc 0
184 mol 259 unq 0 iso 4 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 13.8844 5.71237 7.88519 6.96053 18.1068 9.10984 7.84554 7.64658 4.86771 numMergedOcc 0
185 mol 259 unq 0 iso 5 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 18.1068 9.10984 7.84554 7.64658 13.8844 5.71237 7.88519 6.96053 4.86771 numMergedOcc 0
186 mol 259 unq 1 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 18.1068 9.10984 7.84554 4.86771 22.9986 13.9868 9.18903 10.4881 5.87173 numMergedOcc 0
187 mol 259 unq 1 iso 1 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 22.9986 13.9868 9.18903 10.4881 18.1068 9.10984 7.84554 4.86771 5.87173 numMergedOcc 0
188 mol 259 unq 1 iso 2 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 13.8844 5.71237 7.88519 4.86771 22.9986 13.9868 9.18903 5.87173 10.4881 numMergedOcc 0
189 mol 259 unq 1 iso 3 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 22.9986 13.9868 9.18903 5.87173 13.8844 5.71237 7.88519 4.86771 10.4881 numMergedOcc 0
190 mol 259 unq 1 iso 4 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 13.8844 5.71237 7.88519 10.4881 18.1068 9.10984 7.84554 5.87173 4.86771 numMergedOcc 0
191 mol 259 unq 1 iso 5 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 18.1068 9.10984 7.84554 5.87173 13.8844 5.71237 7.88519 10.4881 4.86771 numMergedOcc 0
192 mol 259 unq 1 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 18.6945 11.8501 7.46176 6.96053 22.9986 13.9868 9.18903 10.4881 10.5239 numMergedOcc 0
193 mol 259 unq 1 iso 1 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 22.9986 13.9868 9.18903 10.4881 18.6945 11.8501 7.46176 6.96053 10.5239 numMergedOcc 0
194 mol 259 unq 1 iso 2 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 13.8844 5.71237 7.88519 6.96053 22.9986 13.9868 9.18903 10.5239 10.4881 numMergedOcc 0
195 mol 259 unq 1 iso 3 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 22.9986 13.9868 9.18903 10.5239 13.8844 5.71237 7.88519 6.96053 10.4881 numMergedOcc 0
196 mol 259 unq 1 iso 4 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 13.8844 5.71237 7.88519 10.4881 18.6945 11.8501 7.46176 10.5239 6.96053 numMergedOcc 0
197 mol 259 unq 1 iso 5 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 18.6945 11.8501 7.46176 10.5239 13.8844 5.71237 7.88519 10.4881 6.96053 numMergedOcc 0
198 mol 259 unq 1 iso 0 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 18.6945 11.8501 7.46176 7.64658 22.9986 13.9868 9.18903 5.87173 10.5239 numMergedOcc 0
199 mol 259 unq 1 iso 1 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 22.9986 13.9868 9.18903 5.87173 18.6945 11.8501 7.46176 7.64658 10.5239 numMergedOcc 0
200 mol 259 unq 1 iso 2 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 18.1068 9.10984 7.84554 7.64658 22.9986 13.9868 9.18903 10.5239 5.87173 numMergedOcc 0
201 mol 259 unq 1 iso 3 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 22.9986 13.9868 9.18903 10.5239 18.1068 9.10984 7.84554 7.64658 5.87173 numMergedOcc 0
202 mol 259 unq 1 iso 4 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 18.1068 9.10984 7.84554 5.87173 18.6945 11.8501 7.46176 10.5239 7.64658 numMergedOcc 0
203 mol 259 unq 1 iso 5 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 18.6945 11.8501 7.46176 10.5239 18.1068 9.10984 7.84554 5.87173 7.64658 numMergedOcc 0
204 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 12.7745 9.63727 8.04483 10.161 4.58403 8.76532 10.0156 9.83042 5.04235 6.33524 5.39891 4.66602 numMergedOcc 0
205 mol 282 unq 0 iso 1 dist 6.40686 4.89059 5.67266 12.7745 9.63727 8.04483 9.83042 5.04235 6.33524 5.39891 10.161 4.58403 8.76532 10.0156 4.66602 numMergedOcc 0
206 mol 282 unq 0 iso 2 dist 6.40686 4.89059 5.67266 10.161 4.58403 8.76532 12.7745 9.63727 8.04483 10.0156 9.83042 5.04235 6.33524 4.66602 5.39891 numMergedOcc 0
207 mol 282 unq 0 iso 3 dist 6.40686 4.89059 5.67266 10.161 4.58403 8.76532 9.83042 5.04235 6.33524 4.66602 12.7745 9.63727 8.04483 10.0156 5.39891 numMergedOcc 0
208 mol 282 unq 0 iso 4 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 12.7745 9.63727 8.04483 5.39891 10.161 4.58403 8.76532 4.66602 10.0156 numMergedOcc 0
209 mol 282 unq 0 iso 5 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 10.161 4.58403 8.76532 4.66602 12.7745 9.63727 8.04483 5.39891 10.0156 numMergedOcc 0
210 mol 282 unq 1 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 10.161 10.5698 8.76532 10.0156 9.83042 8.37652 6.33524 5.39891 4.66602 numMergedOcc 0
211 mol 282 unq 1 iso 1 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 9.83042 8.37652 6.33524 5.39891 10.161 10.5698 8.76532 10.0156 4.66602 numMergedOcc 0
212 mol 282 unq 1 iso 2 dist 7.14443 4.89059 5.80981 10.161 10.5698 8.76532 12.7745 9.60898 8.04483 10.0156 9.83042 8.37652 6.33524 4.66602 5.39891 numMergedOcc 0
213 mol 282 unq 1 iso 3 dist 7.14443 4.89059 5.80981 10.161 10.5698 8.76532 9.83042 8.37652 6.33524 4.66602 12.7745 9.60898 8.04483 10.0156 5.39891 numMergedOcc 0
214 mol 282 unq 1 iso 4 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 12.7745 9.60898 8.04483 5.39891 10.161 10.5698 8.76532 4.66602 10.0156 numMergedOcc 0
215 mol 282 unq 1 iso 5 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 10.161 10.5698 8.76532 4.66602 12.7745 9.60898 8.04483 5.39891 10.0156 numMergedOcc 0
