0 mol 5 unq 0 iso 0 dist 9.45559 9.59917 7.74636 8.41594 7.64769 5.31713 11.0627 3.50411 10.433 8.68577 12.663 8.31759 7.84244 4.73885 8.13672 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.45559 9.59917 7.74636 8.41594 7.64769 5.31713 7.4332 4.84696 10.8912 9.70883 11.6739 14.0944 19.1296 16.0393 9.65565 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 9.45559 9.59917 7.74636 12.663 8.31759 7.84244 11.0627 3.50411 10.433 8.13672 8.41594 7.64769 5.31713 4.73885 8.68577 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.4332 8.94762 8.34817 8.41594 9.70883 13.2371 9.45559 4.84696 12.4698 7.64769 12.663 11.5358 15.5604 4.73885 8.31759 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.4332 8.94762 8.34817 8.41594 9.70883 13.2371 11.0627 5.30421 11.4791 8.68577 12.663 11.5358 15.5604 4.73885 8.13672 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 8.26877 12.0497 7.78689 5.39197 8.22812 9.26377 5.43913 5.62671 12.509 8.65524 9.53255 4.22002 4.88527 6.87266 8.96151 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.26877 12.0497 7.78689 5.39197 8.22812 9.26377 5.43913 5.62671 12.509 8.65524 7.75132 5.77855 4.76279 4.62605 9.02535 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 8.26877 12.0497 7.78689 9.53255 4.22002 4.88527 5.43913 5.62671 12.509 8.96151 5.39197 8.22812 9.26377 6.87266 8.65524 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 8.26877 12.0497 7.78689 9.53255 4.22002 4.88527 5.43913 5.62671 12.509 8.96151 7.75132 5.77855 4.76279 3.23184 9.02535 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 8.26877 12.0497 7.78689 7.75132 5.77855 4.76279 5.43913 5.62671 12.509 9.02535 5.39197 8.22812 9.26377 4.62605 8.65524 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 8.26877 12.0497 7.78689 7.75132 5.77855 4.76279 5.43913 5.62671 12.509 9.02535 9.53255 4.22002 4.88527 3.23184 8.96151 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 7.99434 5.76698 7.78689 12.2756 8.22812 9.26377 11.9764 5.62671 12.509 8.65524 8.12843 4.22002 4.88527 6.87266 8.96151 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 7.99434 5.76698 7.78689 12.2756 8.22812 9.26377 11.9764 5.62671 12.509 8.65524 8.16676 5.77855 4.76279 4.62605 9.02535 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 7.99434 5.76698 7.78689 8.12843 4.22002 4.88527 11.9764 5.62671 12.509 8.96151 12.2756 8.22812 9.26377 6.87266 8.65524 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 7.99434 5.76698 7.78689 8.12843 4.22002 4.88527 11.9764 5.62671 12.509 8.96151 8.16676 5.77855 4.76279 3.23184 9.02535 numMergedOcc 0
15 mol 48 unq 10 iso 0 dist 7.99434 5.76698 7.78689 8.16676 5.77855 4.76279 11.9764 5.62671 12.509 9.02535 12.2756 8.22812 9.26377 4.62605 8.65524 numMergedOcc 0
16 mol 48 unq 11 iso 0 dist 7.99434 5.76698 7.78689 8.16676 5.77855 4.76279 11.9764 5.62671 12.509 9.02535 8.12843 4.22002 4.88527 3.23184 8.96151 numMergedOcc 0
17 mol 78 unq 0 iso 0 dist 6.11101 7.35151 9.38837 7.38398 8.61143 4.315 14.6801 11.9667 11.6695 8.79979 10.4644 11.407 4.76861 3.46822 8.42738 numMergedOcc 0
18 mol 78 unq 1 iso 0 dist 6.11101 4.76634 9.80913 7.38398 8.61143 9.00868 14.6801 11.9667 16.4844 8.79979 10.4644 11.407 12.1208 3.46822 8.42738 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 4.2253 5.21981 4.74254 8.65653 6.20144 7.19532 10.9812 7.13643 9.73588 4.808 13.0624 9.56766 10.2908 5.30569 4.15789 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 8.66427 12.4236 5.37869 13.8217 7.04244 3.65186 10.9038 2.58673 4.29937 6.67137 9.54731 9.63449 12.2971 15.509 9.78707 numMergedOcc 0
21 mol 85 unq 1 iso 0 dist 8.66427 12.4236 5.37869 9.54731 9.63449 12.2971 10.9038 2.58673 4.29937 9.78707 13.8217 7.04244 3.65186 15.509 6.67137 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 8.66427 9.61831 4.05415 13.8217 7.04244 7.00044 10.9038 2.58673 3.65628 6.67137 9.54731 9.63449 8.64367 15.509 9.78707 numMergedOcc 0
23 mol 85 unq 3 iso 0 dist 8.66427 9.61831 4.05415 9.54731 9.63449 8.64367 10.9038 2.58673 3.65628 9.78707 13.8217 7.04244 7.00044 15.509 6.67137 numMergedOcc 0
24 mol 85 unq 4 iso 0 dist 8.66427 11.3963 9.97944 13.8217 7.04244 16.1804 10.9038 2.58673 9.77774 6.67137 9.54731 9.63449 3.21259 15.509 9.78707 numMergedOcc 0
25 mol 85 unq 5 iso 0 dist 8.66427 11.3963 9.97944 9.54731 9.63449 3.21259 10.9038 2.58673 9.77774 9.78707 13.8217 7.04244 16.1804 15.509 6.67137 numMergedOcc 0
26 mol 85 unq 6 iso 0 dist 7.51319 8.08787 4.29937 6.90443 6.67137 3.65186 8.49887 2.58673 5.37869 7.04244 10.1386 10.9264 11.8779 10.1757 9.09711 numMergedOcc 0
27 mol 85 unq 7 iso 0 dist 7.51319 8.08787 4.29937 6.90443 6.67137 3.65186 8.49887 2.58673 5.37869 7.04244 13.5026 9.52926 10.0372 10.1082 7.07839 numMergedOcc 0
28 mol 85 unq 8 iso 0 dist 7.51319 8.08787 4.29937 6.90443 6.67137 3.65186 8.49887 2.58673 5.37869 7.04244 13.1772 10.4386 11.7094 11.3346 7.91193 numMergedOcc 0
29 mol 85 unq 9 iso 0 dist 7.51319 8.08787 4.29937 6.90443 6.67137 3.65186 8.49887 2.58673 5.37869 7.04244 17.0873 9.78707 12.2971 15.509 9.63449 numMergedOcc 0
30 mol 85 unq 10 iso 0 dist 7.51319 8.08787 4.29937 17.0873 9.78707 12.2971 8.49887 2.58673 5.37869 9.63449 10.1386 10.9264 11.8779 17.7038 9.09711 numMergedOcc 0
31 mol 85 unq 11 iso 0 dist 7.51319 8.08787 4.29937 17.0873 9.78707 12.2971 8.49887 2.58673 5.37869 9.63449 6.90443 6.67137 3.65186 15.509 7.04244 numMergedOcc 0
32 mol 85 unq 12 iso 0 dist 7.51319 8.08787 4.29937 17.0873 9.78707 12.2971 8.49887 2.58673 5.37869 9.63449 13.1772 10.4386 11.7094 14.2704 7.91193 numMergedOcc 0
33 mol 85 unq 13 iso 0 dist 7.51319 8.08787 4.29937 17.0873 9.78707 12.2971 8.49887 2.58673 5.37869 9.63449 13.5026 9.52926 10.0372 12.8332 7.07839 numMergedOcc 0
34 mol 85 unq 14 iso 0 dist 7.51319 10.4844 3.65628 6.90443 6.67137 7.00044 8.49887 2.58673 4.05415 7.04244 10.1386 10.9264 12.4835 10.1757 9.09711 numMergedOcc 0
35 mol 85 unq 15 iso 0 dist 7.51319 10.4844 3.65628 6.90443 6.67137 7.00044 8.49887 2.58673 4.05415 7.04244 13.5026 9.52926 8.78995 10.1082 7.07839 numMergedOcc 0
36 mol 85 unq 16 iso 0 dist 7.51319 10.4844 3.65628 6.90443 6.67137 7.00044 8.49887 2.58673 4.05415 7.04244 13.1772 10.4386 10.7591 11.3346 7.91193 numMergedOcc 0
37 mol 85 unq 17 iso 0 dist 7.51319 10.4844 3.65628 6.90443 6.67137 7.00044 8.49887 2.58673 4.05415 7.04244 17.0873 9.78707 8.64367 15.509 9.63449 numMergedOcc 0
38 mol 85 unq 18 iso 0 dist 7.51319 10.4844 3.65628 17.0873 9.78707 8.64367 8.49887 2.58673 4.05415 9.63449 10.1386 10.9264 12.4835 17.7038 9.09711 numMergedOcc 0
39 mol 85 unq 19 iso 0 dist 7.51319 10.4844 3.65628 17.0873 9.78707 8.64367 8.49887 2.58673 4.05415 9.63449 6.90443 6.67137 7.00044 15.509 7.04244 numMergedOcc 0
40 mol 85 unq 20 iso 0 dist 7.51319 10.4844 3.65628 17.0873 9.78707 8.64367 8.49887 2.58673 4.05415 9.63449 13.1772 10.4386 10.7591 14.2704 7.91193 numMergedOcc 0
41 mol 85 unq 21 iso 0 dist 7.51319 10.4844 3.65628 17.0873 9.78707 8.64367 8.49887 2.58673 4.05415 9.63449 13.5026 9.52926 8.78995 12.8332 7.07839 numMergedOcc 0
42 mol 85 unq 22 iso 0 dist 7.51319 16.4231 9.77774 6.90443 6.67137 16.1804 8.49887 2.58673 9.97944 7.04244 10.1386 10.9264 17.9023 10.1757 9.09711 numMergedOcc 0
43 mol 85 unq 23 iso 0 dist 7.51319 16.4231 9.77774 6.90443 6.67137 16.1804 8.49887 2.58673 9.97944 7.04244 13.5026 9.52926 14.2664 10.1082 7.07839 numMergedOcc 0
44 mol 85 unq 24 iso 0 dist 7.51319 16.4231 9.77774 6.90443 6.67137 16.1804 8.49887 2.58673 9.97944 7.04244 13.1772 10.4386 15.1209 11.3346 7.91193 numMergedOcc 0
45 mol 85 unq 25 iso 0 dist 7.51319 16.4231 9.77774 6.90443 6.67137 16.1804 8.49887 2.58673 9.97944 7.04244 17.0873 9.78707 3.21259 15.509 9.63449 numMergedOcc 0
46 mol 85 unq 26 iso 0 dist 7.51319 16.4231 9.77774 17.0873 9.78707 3.21259 8.49887 2.58673 9.97944 9.63449 10.1386 10.9264 17.9023 17.7038 9.09711 numMergedOcc 0
47 mol 85 unq 27 iso 0 dist 7.51319 16.4231 9.77774 17.0873 9.78707 3.21259 8.49887 2.58673 9.97944 9.63449 6.90443 6.67137 16.1804 15.509 7.04244 numMergedOcc 0
48 mol 85 unq 28 iso 0 dist 7.51319 16.4231 9.77774 17.0873 9.78707 3.21259 8.49887 2.58673 9.97944 9.63449 13.1772 10.4386 15.1209 14.2704 7.91193 numMergedOcc 0
49 mol 85 unq 29 iso 0 dist 7.51319 16.4231 9.77774 17.0873 9.78707 3.21259 8.49887 2.58673 9.97944 9.63449 13.5026 9.52926 14.2664 12.8332 7.07839 numMergedOcc 0
50 mol 85 unq 30 iso 0 dist 8.49887 8.08787 5.37869 6.90443 7.04244 3.65186 7.51319 2.58673 4.29937 6.67137 17.0873 9.63449 12.2971 15.509 9.78707 numMergedOcc 0
51 mol 85 unq 31 iso 0 dist 8.49887 8.08787 5.37869 17.0873 9.63449 12.2971 7.51319 2.58673 4.29937 9.78707 6.90443 7.04244 3.65186 15.509 6.67137 numMergedOcc 0
52 mol 85 unq 32 iso 0 dist 8.49887 10.4844 4.05415 6.90443 7.04244 7.00044 7.51319 2.58673 3.65628 6.67137 17.0873 9.63449 8.64367 15.509 9.78707 numMergedOcc 0
53 mol 85 unq 33 iso 0 dist 8.49887 10.4844 4.05415 17.0873 9.63449 8.64367 7.51319 2.58673 3.65628 9.78707 6.90443 7.04244 7.00044 15.509 6.67137 numMergedOcc 0
54 mol 85 unq 34 iso 0 dist 8.49887 16.4231 9.97944 6.90443 7.04244 16.1804 7.51319 2.58673 9.77774 6.67137 17.0873 9.63449 3.21259 15.509 9.78707 numMergedOcc 0
55 mol 85 unq 35 iso 0 dist 8.49887 16.4231 9.97944 17.0873 9.63449 3.21259 7.51319 2.58673 9.77774 9.78707 6.90443 7.04244 16.1804 15.509 6.67137 numMergedOcc 0
56 mol 85 unq 36 iso 0 dist 9.43839 11.053 4.29937 14.6513 6.67137 3.65186 10.329 2.58673 5.37869 7.04244 14.8496 9.52926 10.0372 10.1082 7.07839 numMergedOcc 0
57 mol 85 unq 37 iso 0 dist 9.43839 11.053 4.29937 14.6513 6.67137 3.65186 10.329 2.58673 5.37869 7.04244 16.6425 10.4386 11.7094 11.3346 7.91193 numMergedOcc 0
58 mol 85 unq 38 iso 0 dist 9.43839 11.053 4.29937 14.6513 6.67137 3.65186 10.329 2.58673 5.37869 7.04244 19.3018 10.9264 11.8779 10.1757 9.09711 numMergedOcc 0
59 mol 85 unq 39 iso 0 dist 9.43839 11.053 4.29937 14.6513 6.67137 3.65186 10.329 2.58673 5.37869 7.04244 4.43737 9.78707 12.2971 15.509 9.63449 numMergedOcc 0
60 mol 85 unq 40 iso 0 dist 9.43839 11.053 4.29937 4.43737 9.78707 12.2971 10.329 2.58673 5.37869 9.63449 14.6513 6.67137 3.65186 15.509 7.04244 numMergedOcc 0
61 mol 85 unq 41 iso 0 dist 9.43839 11.053 4.29937 4.43737 9.78707 12.2971 10.329 2.58673 5.37869 9.63449 16.6425 10.4386 11.7094 14.2704 7.91193 numMergedOcc 0
62 mol 85 unq 42 iso 0 dist 9.43839 11.053 4.29937 4.43737 9.78707 12.2971 10.329 2.58673 5.37869 9.63449 19.3018 10.9264 11.8779 17.7038 9.09711 numMergedOcc 0
63 mol 85 unq 43 iso 0 dist 9.43839 11.053 4.29937 4.43737 9.78707 12.2971 10.329 2.58673 5.37869 9.63449 14.8496 9.52926 10.0372 12.8332 7.07839 numMergedOcc 0
64 mol 85 unq 44 iso 0 dist 9.43839 7.97629 3.65628 14.6513 6.67137 7.00044 10.329 2.58673 4.05415 7.04244 14.8496 9.52926 8.78995 10.1082 7.07839 numMergedOcc 0
65 mol 85 unq 45 iso 0 dist 9.43839 7.97629 3.65628 14.6513 6.67137 7.00044 10.329 2.58673 4.05415 7.04244 16.6425 10.4386 10.7591 11.3346 7.91193 numMergedOcc 0
66 mol 85 unq 46 iso 0 dist 9.43839 7.97629 3.65628 14.6513 6.67137 7.00044 10.329 2.58673 4.05415 7.04244 19.3018 10.9264 12.4835 10.1757 9.09711 numMergedOcc 0
67 mol 85 unq 47 iso 0 dist 9.43839 7.97629 3.65628 14.6513 6.67137 7.00044 10.329 2.58673 4.05415 7.04244 4.43737 9.78707 8.64367 15.509 9.63449 numMergedOcc 0
68 mol 85 unq 48 iso 0 dist 9.43839 7.97629 3.65628 4.43737 9.78707 8.64367 10.329 2.58673 4.05415 9.63449 14.6513 6.67137 7.00044 15.509 7.04244 numMergedOcc 0
69 mol 85 unq 49 iso 0 dist 9.43839 7.97629 3.65628 4.43737 9.78707 8.64367 10.329 2.58673 4.05415 9.63449 16.6425 10.4386 10.7591 14.2704 7.91193 numMergedOcc 0
70 mol 85 unq 50 iso 0 dist 9.43839 7.97629 3.65628 4.43737 9.78707 8.64367 10.329 2.58673 4.05415 9.63449 19.3018 10.9264 12.4835 17.7038 9.09711 numMergedOcc 0
71 mol 85 unq 51 iso 0 dist 9.43839 7.97629 3.65628 4.43737 9.78707 8.64367 10.329 2.58673 4.05415 9.63449 14.8496 9.52926 8.78995 12.8332 7.07839 numMergedOcc 0
72 mol 85 unq 52 iso 0 dist 9.43839 5.46713 9.77774 14.6513 6.67137 16.1804 10.329 2.58673 9.97944 7.04244 14.8496 9.52926 14.2664 10.1082 7.07839 numMergedOcc 0
73 mol 85 unq 53 iso 0 dist 9.43839 5.46713 9.77774 14.6513 6.67137 16.1804 10.329 2.58673 9.97944 7.04244 19.3018 10.9264 17.9023 10.1757 9.09711 numMergedOcc 0
74 mol 85 unq 54 iso 0 dist 9.43839 5.46713 9.77774 14.6513 6.67137 16.1804 10.329 2.58673 9.97944 7.04244 16.6425 10.4386 15.1209 11.3346 7.91193 numMergedOcc 0
75 mol 85 unq 55 iso 0 dist 9.43839 5.46713 9.77774 14.6513 6.67137 16.1804 10.329 2.58673 9.97944 7.04244 4.43737 9.78707 3.21259 15.509 9.63449 numMergedOcc 0
76 mol 85 unq 56 iso 0 dist 9.43839 5.46713 9.77774 4.43737 9.78707 3.21259 10.329 2.58673 9.97944 9.63449 14.6513 6.67137 16.1804 15.509 7.04244 numMergedOcc 0
77 mol 85 unq 57 iso 0 dist 9.43839 5.46713 9.77774 4.43737 9.78707 3.21259 10.329 2.58673 9.97944 9.63449 19.3018 10.9264 17.9023 17.7038 9.09711 numMergedOcc 0
78 mol 85 unq 58 iso 0 dist 9.43839 5.46713 9.77774 4.43737 9.78707 3.21259 10.329 2.58673 9.97944 9.63449 16.6425 10.4386 15.1209 14.2704 7.91193 numMergedOcc 0
79 mol 85 unq 59 iso 0 dist 9.43839 5.46713 9.77774 4.43737 9.78707 3.21259 10.329 2.58673 9.97944 9.63449 14.8496 9.52926 14.2664 12.8332 7.07839 numMergedOcc 0
80 mol 194 unq 0 iso 0 dist 7.56217 5.39223 4.45769 11.7008 5.10542 9.23342 9.81055 3.78714 5.89939 4.68722 14.7138 7.52366 10.3782 5.61057 5.18325 numMergedOcc 0
81 mol 194 unq 1 iso 0 dist 7.56217 7.15294 8.99961 11.7008 5.10542 11.7699 9.81055 3.78714 8.18853 4.68722 14.7138 7.52366 13.0759 5.61057 5.18325 numMergedOcc 0
82 mol 204 unq 0 iso 0 dist 8.77524 5.9943 7.33774 10.6524 8.32259 4.7839 8.59764 8.59834 6.39122 8.54737 9.88337 9.93489 4.05102 2.95898 7.64057 numMergedOcc 0
83 mol 204 unq 1 iso 0 dist 8.77524 5.9943 7.33774 9.88337 9.93489 4.05102 8.59764 8.59834 6.39122 7.64057 10.6524 8.32259 4.7839 2.95898 8.54737 numMergedOcc 0
84 mol 204 unq 2 iso 0 dist 9.26192 9.9686 7.98864 13.8736 9.93489 5.80328 10.6368 2.95898 8.23717 8.32259 6.40044 7.64057 3.68217 8.59834 8.54737 numMergedOcc 0
85 mol 204 unq 3 iso 0 dist 9.26192 9.9686 7.98864 6.40044 7.64057 3.68217 10.6368 2.95898 8.23717 8.54737 13.8736 9.93489 5.80328 8.59834 8.32259 numMergedOcc 0
86 mol 214 unq 0 iso 0 dist 9.53899 10.0389 7.66702 6.49466 7.42759 3.64285 10.3757 2.86233 7.70062 7.96338 15.5354 10.7359 7.87816 10.5332 8.66082 numMergedOcc 0
87 mol 266 unq 0 iso 0 dist 6.48382 7.90149 8.20376 7.52317 8.25286 3.14784 14.5631 11.938 7.72861 7.8598 9.52953 9.9965 5.95721 3.00605 7.80711 numMergedOcc 0
88 mol 266 unq 1 iso 0 dist 6.48382 7.90149 8.20376 9.52953 9.9965 5.95721 14.5631 11.938 7.72861 7.80711 7.52317 8.25286 3.14784 3.00605 7.8598 numMergedOcc 0
89 mol 277 unq 0 iso 0 dist 4.1545 6.65084 5.13533 5.11865 7.98956 10.5214 11.2914 13.9697 14.9526 6.79748 8.46455 11.2004 14.236 3.75238 6.53598 numMergedOcc 0
