0 mol 5 unq 0 iso 0 dist 8.87945 6.98653 7.64769 10.4477 8.68577 3.50411 11.532 4.73885 8.31759 8.13672 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.87945 6.98653 7.64769 9.22937 9.70883 4.84696 11.532 4.73885 8.31759 11.5358 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.87945 10.4477 8.68577 6.98653 7.64769 3.50411 11.532 4.73885 8.13672 8.31759 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 8.87945 10.4477 8.68577 9.22937 9.70883 5.30421 11.532 4.73885 8.13672 11.5358 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 8.87945 9.22937 9.70883 6.98653 7.64769 4.84696 18.1664 16.0393 9.65565 14.0944 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 8.87945 9.22937 9.70883 10.4477 8.68577 5.30421 18.1664 16.0393 9.65565 12.7584 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 7.74636 5.31713 7.64769 7.84244 8.31759 4.73885 10.433 3.50411 8.68577 8.13672 numMergedOcc 0
7 mol 5 unq 7 iso 0 dist 7.74636 5.31713 7.64769 7.84244 8.31759 4.73885 10.8912 4.84696 9.70883 11.5358 numMergedOcc 0
8 mol 5 unq 8 iso 0 dist 7.74636 7.84244 8.31759 5.31713 7.64769 4.73885 10.433 3.50411 8.13672 8.68577 numMergedOcc 0
9 mol 5 unq 9 iso 0 dist 8.34817 13.2371 9.70883 3.24598 9.65565 16.0393 12.4698 4.84696 7.64769 14.0944 numMergedOcc 0
10 mol 5 unq 10 iso 0 dist 8.34817 13.2371 9.70883 3.24598 9.65565 16.0393 11.4791 5.30421 8.68577 12.7584 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 7.78689 9.26377 8.22812 4.88527 4.22002 6.87266 12.509 5.62671 8.65524 8.96151 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 7.78689 9.26377 8.22812 4.76279 5.77855 4.62605 12.509 5.62671 8.65524 9.02535 numMergedOcc 0
13 mol 48 unq 2 iso 0 dist 7.78689 9.26377 8.22812 5.56357 8.10774 10.9047 12.509 5.62671 8.65524 13.4006 numMergedOcc 0
14 mol 48 unq 3 iso 0 dist 7.78689 9.26377 8.22812 9.94951 6.5241 10.1674 12.509 5.62671 8.65524 10.2447 numMergedOcc 0
15 mol 48 unq 4 iso 0 dist 7.78689 4.88527 4.22002 9.26377 8.22812 6.87266 12.509 5.62671 8.96151 8.65524 numMergedOcc 0
16 mol 48 unq 5 iso 0 dist 7.78689 4.88527 4.22002 4.76279 5.77855 3.23184 12.509 5.62671 8.96151 9.02535 numMergedOcc 0
17 mol 48 unq 6 iso 0 dist 7.78689 4.88527 4.22002 5.56357 8.10774 4.78728 12.509 5.62671 8.96151 13.4006 numMergedOcc 0
18 mol 48 unq 7 iso 0 dist 7.78689 4.88527 4.22002 9.94951 6.5241 5.61785 12.509 5.62671 8.96151 10.2447 numMergedOcc 0
19 mol 48 unq 8 iso 0 dist 7.78689 4.76279 5.77855 9.26377 8.22812 4.62605 12.509 5.62671 9.02535 8.65524 numMergedOcc 0
20 mol 48 unq 9 iso 0 dist 7.78689 4.76279 5.77855 4.88527 4.22002 3.23184 12.509 5.62671 9.02535 8.96151 numMergedOcc 0
21 mol 48 unq 10 iso 0 dist 7.78689 4.76279 5.77855 5.56357 8.10774 7.18912 12.509 5.62671 9.02535 13.4006 numMergedOcc 0
22 mol 48 unq 11 iso 0 dist 7.78689 4.76279 5.77855 9.94951 6.5241 8.43495 12.509 5.62671 9.02535 10.2447 numMergedOcc 0
23 mol 48 unq 12 iso 0 dist 7.78689 9.94951 6.5241 9.26377 8.22812 10.1674 13.5889 8.66712 5.54472 14.8981 numMergedOcc 0
24 mol 48 unq 13 iso 0 dist 7.78689 9.94951 6.5241 9.26377 8.22812 10.1674 14.6829 9.07711 8.62369 16.5858 numMergedOcc 0
25 mol 48 unq 14 iso 0 dist 7.78689 9.94951 6.5241 4.88527 4.22002 5.61785 13.5889 8.66712 5.54472 9.83205 numMergedOcc 0
26 mol 48 unq 15 iso 0 dist 7.78689 9.94951 6.5241 4.88527 4.22002 5.61785 14.6829 9.07711 8.62369 11.444 numMergedOcc 0
27 mol 48 unq 16 iso 0 dist 7.78689 9.94951 6.5241 4.76279 5.77855 8.43495 13.5889 8.66712 5.54472 12.8664 numMergedOcc 0
28 mol 48 unq 17 iso 0 dist 7.78689 9.94951 6.5241 4.76279 5.77855 8.43495 14.6829 9.07711 8.62369 14.2734 numMergedOcc 0
29 mol 48 unq 18 iso 0 dist 7.78689 9.94951 6.5241 5.56357 8.10774 6.20957 13.5889 8.66712 5.54472 9.84914 numMergedOcc 0
30 mol 48 unq 19 iso 0 dist 7.78689 9.94951 6.5241 5.56357 8.10774 6.20957 14.6829 9.07711 8.62369 11.9942 numMergedOcc 0
31 mol 48 unq 20 iso 0 dist 7.7927 11.246 6.36817 4.10953 5.37439 8.61401 12.9788 6.29252 8.14245 9.29472 numMergedOcc 0
32 mol 48 unq 21 iso 0 dist 7.7927 11.246 6.36817 4.10953 5.37439 8.61401 16.6394 9.94041 8.0812 14.7286 numMergedOcc 0
33 mol 48 unq 22 iso 0 dist 7.7927 11.246 6.36817 4.10953 5.37439 8.61401 12.6487 5.553 4.17933 9.47823 numMergedOcc 0
34 mol 48 unq 23 iso 0 dist 7.7927 11.246 6.36817 4.10953 5.37439 8.61401 15.2851 8.14415 5.54893 12.439 numMergedOcc 0
35 mol 48 unq 24 iso 0 dist 7.7927 11.246 6.36817 5.70353 8.3714 9.16142 12.9788 6.29252 8.14245 11.3622 numMergedOcc 0
36 mol 48 unq 25 iso 0 dist 7.7927 11.246 6.36817 5.70353 8.3714 9.16142 16.6394 9.94041 8.0812 16.5312 numMergedOcc 0
37 mol 48 unq 26 iso 0 dist 7.7927 11.246 6.36817 5.70353 8.3714 9.16142 12.6487 5.553 4.17933 11.095 numMergedOcc 0
38 mol 48 unq 27 iso 0 dist 7.7927 11.246 6.36817 5.70353 8.3714 9.16142 15.2851 8.14415 5.54893 13.9254 numMergedOcc 0
39 mol 48 unq 28 iso 0 dist 6.17378 9.92075 6.36817 5.46483 5.37439 8.61401 12.289 6.29252 8.14245 9.29472 numMergedOcc 0
40 mol 48 unq 29 iso 0 dist 6.17378 9.92075 6.36817 5.46483 5.37439 8.61401 13.892 9.94041 8.0812 14.7286 numMergedOcc 0
41 mol 48 unq 30 iso 0 dist 6.17378 9.92075 6.36817 5.46483 5.37439 8.61401 11.151 5.553 4.17933 9.47823 numMergedOcc 0
42 mol 48 unq 31 iso 0 dist 6.17378 9.92075 6.36817 5.46483 5.37439 8.61401 13.3372 8.14415 5.54893 12.439 numMergedOcc 0
43 mol 48 unq 32 iso 0 dist 6.17378 9.92075 6.36817 7.86518 8.3714 9.16142 12.289 6.29252 8.14245 11.3622 numMergedOcc 0
44 mol 48 unq 33 iso 0 dist 6.17378 9.92075 6.36817 7.86518 8.3714 9.16142 13.892 9.94041 8.0812 16.5312 numMergedOcc 0
45 mol 48 unq 34 iso 0 dist 6.17378 9.92075 6.36817 7.86518 8.3714 9.16142 11.151 5.553 4.17933 11.095 numMergedOcc 0
46 mol 48 unq 35 iso 0 dist 6.17378 9.92075 6.36817 7.86518 8.3714 9.16142 13.3372 8.14415 5.54893 13.9254 numMergedOcc 0
47 mol 48 unq 36 iso 0 dist 7.70645 9.7018 6.36817 5.43784 8.14245 6.29252 13.068 8.61401 5.37439 9.29472 numMergedOcc 0
48 mol 48 unq 37 iso 0 dist 7.70645 9.7018 6.36817 5.43784 8.14245 6.29252 14.2441 9.16142 8.3714 11.3622 numMergedOcc 0
49 mol 48 unq 38 iso 0 dist 7.70645 9.7018 6.36817 8.95384 8.0812 9.94041 13.068 8.61401 5.37439 14.7286 numMergedOcc 0
50 mol 48 unq 39 iso 0 dist 7.70645 9.7018 6.36817 8.95384 8.0812 9.94041 14.2441 9.16142 8.3714 16.5312 numMergedOcc 0
51 mol 48 unq 40 iso 0 dist 7.70645 9.7018 6.36817 4.57947 4.17933 5.553 13.068 8.61401 5.37439 9.47823 numMergedOcc 0
52 mol 48 unq 41 iso 0 dist 7.70645 9.7018 6.36817 4.57947 4.17933 5.553 14.2441 9.16142 8.3714 11.095 numMergedOcc 0
53 mol 48 unq 42 iso 0 dist 7.70645 9.7018 6.36817 4.60843 5.54893 8.14415 13.068 8.61401 5.37439 12.439 numMergedOcc 0
54 mol 48 unq 43 iso 0 dist 7.70645 9.7018 6.36817 4.60843 5.54893 8.14415 14.2441 9.16142 8.3714 13.9254 numMergedOcc 0
55 mol 78 unq 0 iso 0 dist 9.38837 4.315 8.61143 4.83106 9.07629 8.09729 11.6695 11.9667 8.79979 15.642 numMergedOcc 0
56 mol 78 unq 1 iso 0 dist 9.80913 9.00868 8.61143 9.40741 9.07629 8.09729 16.4844 11.9667 8.79979 15.642 numMergedOcc 0
57 mol 83 unq 0 iso 0 dist 5.35861 3.65203 6.96722 3.62753 7.50925 6.91034 8.61641 5.72008 7.61085 11.9491 numMergedOcc 0
58 mol 85 unq 0 iso 0 dist 4.29937 3.65186 6.67137 12.2971 9.78707 15.509 5.37869 2.58673 7.04244 9.63449 numMergedOcc 0
59 mol 85 unq 1 iso 0 dist 4.29937 12.2971 9.78707 3.65186 6.67137 15.509 5.37869 2.58673 9.63449 7.04244 numMergedOcc 0
60 mol 85 unq 2 iso 0 dist 5.37869 3.65186 7.04244 10.0372 7.07839 10.1082 4.29937 2.58673 6.67137 9.52926 numMergedOcc 0
61 mol 85 unq 3 iso 0 dist 5.37869 3.65186 7.04244 11.7094 7.91193 11.3346 4.29937 2.58673 6.67137 10.4386 numMergedOcc 0
62 mol 85 unq 4 iso 0 dist 5.37869 3.65186 7.04244 11.8779 9.09711 10.1757 4.29937 2.58673 6.67137 10.9264 numMergedOcc 0
63 mol 85 unq 5 iso 0 dist 5.37869 3.65186 7.04244 12.2971 9.63449 15.509 4.29937 2.58673 6.67137 9.78707 numMergedOcc 0
64 mol 85 unq 6 iso 0 dist 5.37869 12.2971 9.63449 10.0372 7.07839 12.8332 4.29937 2.58673 9.78707 9.52926 numMergedOcc 0
65 mol 85 unq 7 iso 0 dist 5.37869 12.2971 9.63449 3.65186 7.04244 15.509 4.29937 2.58673 9.78707 6.67137 numMergedOcc 0
66 mol 85 unq 8 iso 0 dist 5.37869 12.2971 9.63449 11.8779 9.09711 17.7038 4.29937 2.58673 9.78707 10.9264 numMergedOcc 0
67 mol 85 unq 9 iso 0 dist 5.37869 12.2971 9.63449 11.7094 7.91193 14.2704 4.29937 2.58673 9.78707 10.4386 numMergedOcc 0
68 mol 85 unq 10 iso 0 dist 3.65628 7.00044 6.67137 8.64367 9.78707 15.509 4.05415 2.58673 7.04244 9.63449 numMergedOcc 0
69 mol 85 unq 11 iso 0 dist 3.65628 8.64367 9.78707 7.00044 6.67137 15.509 4.05415 2.58673 9.63449 7.04244 numMergedOcc 0
70 mol 85 unq 12 iso 0 dist 4.05415 7.00044 7.04244 8.78995 7.07839 10.1082 3.65628 2.58673 6.67137 9.52926 numMergedOcc 0
71 mol 85 unq 13 iso 0 dist 4.05415 7.00044 7.04244 10.7591 7.91193 11.3346 3.65628 2.58673 6.67137 10.4386 numMergedOcc 0
72 mol 85 unq 14 iso 0 dist 4.05415 7.00044 7.04244 12.4835 9.09711 10.1757 3.65628 2.58673 6.67137 10.9264 numMergedOcc 0
73 mol 85 unq 15 iso 0 dist 4.05415 7.00044 7.04244 8.64367 9.63449 15.509 3.65628 2.58673 6.67137 9.78707 numMergedOcc 0
74 mol 85 unq 16 iso 0 dist 4.05415 8.64367 9.63449 8.78995 7.07839 12.8332 3.65628 2.58673 9.78707 9.52926 numMergedOcc 0
75 mol 85 unq 17 iso 0 dist 4.05415 8.64367 9.63449 7.00044 7.04244 15.509 3.65628 2.58673 9.78707 6.67137 numMergedOcc 0
76 mol 85 unq 18 iso 0 dist 4.05415 8.64367 9.63449 12.4835 9.09711 17.7038 3.65628 2.58673 9.78707 10.9264 numMergedOcc 0
77 mol 85 unq 19 iso 0 dist 4.05415 8.64367 9.63449 10.7591 7.91193 14.2704 3.65628 2.58673 9.78707 10.4386 numMergedOcc 0
78 mol 85 unq 20 iso 0 dist 9.77774 16.1804 6.67137 3.21259 9.78707 15.509 9.97944 2.58673 7.04244 9.63449 numMergedOcc 0
79 mol 85 unq 21 iso 0 dist 9.77774 3.21259 9.78707 16.1804 6.67137 15.509 9.97944 2.58673 9.63449 7.04244 numMergedOcc 0
80 mol 85 unq 22 iso 0 dist 9.97944 16.1804 7.04244 14.2664 7.07839 10.1082 9.77774 2.58673 6.67137 9.52926 numMergedOcc 0
81 mol 85 unq 23 iso 0 dist 9.97944 16.1804 7.04244 15.1209 7.91193 11.3346 9.77774 2.58673 6.67137 10.4386 numMergedOcc 0
82 mol 85 unq 24 iso 0 dist 9.97944 16.1804 7.04244 17.9023 9.09711 10.1757 9.77774 2.58673 6.67137 10.9264 numMergedOcc 0
83 mol 85 unq 25 iso 0 dist 9.97944 16.1804 7.04244 3.21259 9.63449 15.509 9.77774 2.58673 6.67137 9.78707 numMergedOcc 0
84 mol 85 unq 26 iso 0 dist 9.97944 3.21259 9.63449 14.2664 7.07839 12.8332 9.77774 2.58673 9.78707 9.52926 numMergedOcc 0
85 mol 85 unq 27 iso 0 dist 9.97944 3.21259 9.63449 16.1804 7.04244 15.509 9.77774 2.58673 9.78707 6.67137 numMergedOcc 0
86 mol 85 unq 28 iso 0 dist 9.97944 3.21259 9.63449 17.9023 9.09711 17.7038 9.77774 2.58673 9.78707 10.9264 numMergedOcc 0
87 mol 85 unq 29 iso 0 dist 9.97944 3.21259 9.63449 15.1209 7.91193 14.2704 9.77774 2.58673 9.78707 10.4386 numMergedOcc 0
88 mol 113 unq 0 iso 0 dist 8.67025 9.59189 5.31126 10.1118 4.49669 5.7147 11.1678 2.75715 7.16619 5.88896 numMergedOcc 0
89 mol 113 unq 1 iso 0 dist 8.67025 9.59189 5.31126 8.19901 6.00221 8.09465 11.1678 2.75715 7.16619 7.84239 numMergedOcc 0
90 mol 113 unq 2 iso 0 dist 8.67025 10.1118 4.49669 9.59189 5.31126 5.7147 11.1678 2.75715 5.88896 7.16619 numMergedOcc 0
91 mol 113 unq 3 iso 0 dist 8.67025 10.1118 4.49669 8.19901 6.00221 3.74304 11.1678 2.75715 5.88896 7.84239 numMergedOcc 0
92 mol 113 unq 4 iso 0 dist 9.60127 13.8379 7.16619 8.39067 5.88896 5.7147 9.92079 2.75715 5.31126 4.49669 numMergedOcc 0
93 mol 113 unq 5 iso 0 dist 9.60127 8.39067 5.88896 13.8379 7.16619 5.7147 9.92079 2.75715 4.49669 5.31126 numMergedOcc 0
94 mol 115 unq 0 iso 0 dist 9.45013 7.30495 6.21029 9.57858 8.16325 3.66281 9.81886 3.19822 5.86379 8.64686 numMergedOcc 0
95 mol 115 unq 1 iso 0 dist 9.45013 9.57858 8.16325 7.30495 6.21029 3.66281 9.81886 3.19822 8.64686 5.86379 numMergedOcc 0
96 mol 120 unq 0 iso 0 dist 9.98772 4.5296 6.98791 3.28697 9.31385 5.7181 12.1141 5.26524 7.84207 11.8836 numMergedOcc 0
97 mol 123 unq 0 iso 0 dist 4.14492 10.3919 8.03692 8.42496 5.56127 10.2185 10.3616 8.77423 8.78115 13.5017 numMergedOcc 0
98 mol 123 unq 1 iso 0 dist 4.14492 10.3919 8.03692 3.3389 5.36214 13.0033 10.3616 8.77423 8.78115 12.1434 numMergedOcc 0
99 mol 147 unq 0 iso 0 dist 7.7464 5.19008 3.82583 5.27556 5.19116 3.00464 10.735 4.68125 8.25768 8.71702 numMergedOcc 0
100 mol 147 unq 1 iso 0 dist 7.7464 5.27556 5.19116 5.19008 3.82583 3.00464 10.735 4.68125 8.71702 8.25768 numMergedOcc 0
101 mol 147 unq 2 iso 0 dist 5.12272 3.7729 3.82583 6.34165 5.19116 3.00464 8.7121 4.68125 8.25768 8.71702 numMergedOcc 0
102 mol 147 unq 3 iso 0 dist 5.12272 6.34165 5.19116 3.7729 3.82583 3.00464 8.7121 4.68125 8.71702 8.25768 numMergedOcc 0
103 mol 147 unq 4 iso 0 dist 8.7121 3.7729 8.25768 6.34165 8.71702 3.00464 5.12272 4.68125 3.82583 5.19116 numMergedOcc 0
104 mol 147 unq 5 iso 0 dist 8.7121 6.34165 8.71702 3.7729 8.25768 3.00464 5.12272 4.68125 5.19116 3.82583 numMergedOcc 0
105 mol 186 unq 0 iso 0 dist 8.17928 3.60793 7.25595 4.79079 4.87942 6.13455 13.2028 12.8007 9.94825 14.922 numMergedOcc 0
106 mol 186 unq 1 iso 0 dist 8.92135 14.4913 7.25595 5.43612 9.94825 12.8007 14.8336 6.13455 4.87942 14.922 numMergedOcc 0
107 mol 194 unq 0 iso 0 dist 5.89939 9.23342 4.68722 10.3782 5.18325 5.61057 4.45769 3.78714 5.10542 7.52366 numMergedOcc 0
108 mol 194 unq 1 iso 0 dist 8.18853 11.7699 4.68722 13.0759 5.18325 5.61057 8.99961 3.78714 5.10542 7.52366 numMergedOcc 0
109 mol 204 unq 0 iso 0 dist 7.33774 4.7839 8.32259 4.05102 9.93489 2.95898 6.39122 8.59834 8.54737 7.64057 numMergedOcc 0
110 mol 204 unq 1 iso 0 dist 7.33774 4.05102 9.93489 4.7839 8.32259 2.95898 6.39122 8.59834 7.64057 8.54737 numMergedOcc 0
111 mol 204 unq 2 iso 0 dist 6.39122 4.7839 8.54737 4.05102 7.64057 2.95898 7.33774 8.59834 8.32259 9.93489 numMergedOcc 0
112 mol 204 unq 3 iso 0 dist 6.39122 4.05102 7.64057 4.7839 8.54737 2.95898 7.33774 8.59834 9.93489 8.32259 numMergedOcc 0
113 mol 204 unq 4 iso 0 dist 8.23717 5.80328 8.32259 3.68217 8.54737 8.59834 7.98864 2.95898 9.93489 7.64057 numMergedOcc 0
114 mol 204 unq 5 iso 0 dist 8.23717 3.68217 8.54737 5.80328 8.32259 8.59834 7.98864 2.95898 7.64057 9.93489 numMergedOcc 0
115 mol 204 unq 6 iso 0 dist 7.98864 5.80328 9.93489 3.68217 7.64057 8.59834 8.23717 2.95898 8.32259 8.54737 numMergedOcc 0
116 mol 204 unq 7 iso 0 dist 7.98864 3.68217 7.64057 5.80328 9.93489 8.59834 8.23717 2.95898 8.54737 8.32259 numMergedOcc 0
117 mol 214 unq 0 iso 0 dist 6.50654 4.84709 7.96338 4.16963 7.42759 2.86233 8.49349 10.5332 8.66082 10.7359 numMergedOcc 0
118 mol 214 unq 1 iso 0 dist 9.59928 8.88633 7.96338 3.14057 8.66082 10.5332 11.1063 2.86233 7.42759 10.7359 numMergedOcc 0
119 mol 214 unq 2 iso 0 dist 7.70062 3.64285 7.96338 7.87816 8.66082 10.5332 7.66702 2.86233 7.42759 10.7359 numMergedOcc 0
120 mol 266 unq 0 iso 0 dist 7.72861 3.14784 7.8598 5.95721 7.80711 3.00605 8.20376 11.938 8.25286 9.9965 numMergedOcc 0
121 mol 266 unq 1 iso 0 dist 7.72861 5.95721 7.80711 3.14784 7.8598 3.00605 8.20376 11.938 9.9965 8.25286 numMergedOcc 0
122 mol 266 unq 2 iso 0 dist 8.20376 3.14784 8.25286 3.68488 6.96692 5.76129 7.72861 11.938 7.8598 10.9313 numMergedOcc 0
123 mol 266 unq 3 iso 0 dist 8.20376 3.14784 8.25286 5.95721 9.9965 3.00605 7.72861 11.938 7.8598 7.80711 numMergedOcc 0
124 mol 266 unq 4 iso 0 dist 8.20376 5.95721 9.9965 3.68488 6.96692 8.75066 7.72861 11.938 7.80711 10.9313 numMergedOcc 0
125 mol 266 unq 5 iso 0 dist 8.20376 5.95721 9.9965 3.14784 8.25286 3.00605 7.72861 11.938 7.80711 7.8598 numMergedOcc 0
