0 mol 5 unq 0 iso 0 dist 6.14476 13.9409 9.70883 4.97032 9.65565 16.0393 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 6.14476 4.97032 9.65565 13.9409 9.70883 16.0393 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.45756 9.26597 3.77542 4.60014 9.97314 9.4824 numMergedOcc 0
3 mol 46 unq 0 iso 1 dist 9.45756 4.60014 9.97314 9.26597 3.77542 9.4824 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.15542 3.63758 8.65524 6.88863 8.22812 5.62671 numMergedOcc 0
5 mol 48 unq 0 iso 1 dist 7.15542 6.88863 8.22812 3.63758 8.65524 5.62671 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.89047 3.63758 8.96151 6.88863 4.22002 5.62671 numMergedOcc 0
7 mol 48 unq 1 iso 1 dist 8.89047 6.88863 4.22002 3.63758 8.96151 5.62671 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 8.89003 3.63758 9.02535 6.88863 5.77855 5.62671 numMergedOcc 0
9 mol 48 unq 2 iso 1 dist 8.89003 6.88863 5.77855 3.63758 9.02535 5.62671 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 7.61521 10.5019 7.66068 13.3187 9.5043 6.98219 numMergedOcc 0
11 mol 76 unq 0 iso 1 dist 7.61521 13.3187 9.5043 10.5019 7.66068 6.98219 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 7.61521 10.5019 7.66068 10.3032 8.34132 8.74837 numMergedOcc 0
13 mol 76 unq 1 iso 1 dist 7.61521 10.3032 8.34132 10.5019 7.66068 8.74837 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 7.61521 13.3187 9.5043 10.3032 8.34132 4.82479 numMergedOcc 0
15 mol 76 unq 1 iso 1 dist 7.61521 10.3032 8.34132 13.3187 9.5043 4.82479 numMergedOcc 0
16 mol 78 unq 0 iso 0 dist 7.69072 5.34874 8.42738 3.68023 8.79979 3.46822 numMergedOcc 0
17 mol 78 unq 0 iso 1 dist 7.69072 3.68023 8.79979 5.34874 8.42738 3.46822 numMergedOcc 0
18 mol 78 unq 1 iso 0 dist 8.97888 9.6123 8.61143 3.46486 8.79979 11.9667 numMergedOcc 0
19 mol 78 unq 1 iso 1 dist 8.97888 3.46486 8.79979 9.6123 8.61143 11.9667 numMergedOcc 0
20 mol 79 unq 0 iso 0 dist 4.37025 8.95695 6.20144 3.83059 4.808 7.13643 numMergedOcc 0
21 mol 79 unq 0 iso 1 dist 4.37025 3.83059 4.808 8.95695 6.20144 7.13643 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 7.69926 6.35602 6.67137 13.5979 9.78707 15.509 numMergedOcc 0
23 mol 85 unq 0 iso 1 dist 7.69926 13.5979 9.78707 6.35602 6.67137 15.509 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 5.85237 5.78841 7.91193 3.88489 7.07839 3.24037 numMergedOcc 0
25 mol 85 unq 1 iso 1 dist 5.85237 3.88489 7.07839 5.78841 7.91193 3.24037 numMergedOcc 0
26 mol 85 unq 2 iso 0 dist 5.85237 5.78841 7.91193 7.33192 9.09711 5.44737 numMergedOcc 0
27 mol 85 unq 2 iso 1 dist 5.85237 7.33192 9.09711 5.78841 7.91193 5.44737 numMergedOcc 0
28 mol 85 unq 3 iso 0 dist 5.85237 5.78841 7.91193 6.35602 7.04244 11.3346 numMergedOcc 0
29 mol 85 unq 3 iso 1 dist 5.85237 6.35602 7.04244 5.78841 7.91193 11.3346 numMergedOcc 0
30 mol 85 unq 4 iso 0 dist 5.85237 5.78841 7.91193 13.5979 9.63449 14.2704 numMergedOcc 0
31 mol 85 unq 4 iso 1 dist 5.85237 13.5979 9.63449 5.78841 7.91193 14.2704 numMergedOcc 0
32 mol 85 unq 2 iso 0 dist 5.85237 3.88489 7.07839 7.33192 9.09711 7.6242 numMergedOcc 0
33 mol 85 unq 2 iso 1 dist 5.85237 7.33192 9.09711 3.88489 7.07839 7.6242 numMergedOcc 0
34 mol 85 unq 3 iso 0 dist 5.85237 3.88489 7.07839 6.35602 7.04244 10.1082 numMergedOcc 0
35 mol 85 unq 3 iso 1 dist 5.85237 6.35602 7.04244 3.88489 7.07839 10.1082 numMergedOcc 0
36 mol 85 unq 4 iso 0 dist 5.85237 3.88489 7.07839 13.5979 9.63449 12.8332 numMergedOcc 0
37 mol 85 unq 4 iso 1 dist 5.85237 13.5979 9.63449 3.88489 7.07839 12.8332 numMergedOcc 0
38 mol 85 unq 3 iso 0 dist 5.85237 7.33192 9.09711 6.35602 7.04244 10.1757 numMergedOcc 0
39 mol 85 unq 3 iso 1 dist 5.85237 6.35602 7.04244 7.33192 9.09711 10.1757 numMergedOcc 0
40 mol 85 unq 4 iso 0 dist 5.85237 7.33192 9.09711 13.5979 9.63449 17.7038 numMergedOcc 0
41 mol 85 unq 4 iso 1 dist 5.85237 13.5979 9.63449 7.33192 9.09711 17.7038 numMergedOcc 0
42 mol 85 unq 4 iso 0 dist 5.85237 6.35602 7.04244 13.5979 9.63449 15.509 numMergedOcc 0
43 mol 85 unq 4 iso 1 dist 5.85237 13.5979 9.63449 6.35602 7.04244 15.509 numMergedOcc 0
44 mol 85 unq 5 iso 0 dist 9.11768 12.2858 7.91193 9.22202 7.07839 3.24037 numMergedOcc 0
45 mol 85 unq 5 iso 1 dist 9.11768 9.22202 7.07839 12.2858 7.91193 3.24037 numMergedOcc 0
46 mol 85 unq 6 iso 0 dist 9.11768 12.2858 7.91193 10.5854 7.04244 11.3346 numMergedOcc 0
47 mol 85 unq 6 iso 1 dist 9.11768 10.5854 7.04244 12.2858 7.91193 11.3346 numMergedOcc 0
48 mol 85 unq 7 iso 0 dist 9.11768 12.2858 7.91193 10.0606 9.63449 14.2704 numMergedOcc 0
49 mol 85 unq 7 iso 1 dist 9.11768 10.0606 9.63449 12.2858 7.91193 14.2704 numMergedOcc 0
50 mol 85 unq 8 iso 0 dist 9.11768 12.2858 7.91193 15.5226 9.09711 5.44737 numMergedOcc 0
51 mol 85 unq 8 iso 1 dist 9.11768 15.5226 9.09711 12.2858 7.91193 5.44737 numMergedOcc 0
52 mol 85 unq 6 iso 0 dist 9.11768 9.22202 7.07839 10.5854 7.04244 10.1082 numMergedOcc 0
53 mol 85 unq 6 iso 1 dist 9.11768 10.5854 7.04244 9.22202 7.07839 10.1082 numMergedOcc 0
54 mol 85 unq 7 iso 0 dist 9.11768 9.22202 7.07839 10.0606 9.63449 12.8332 numMergedOcc 0
55 mol 85 unq 7 iso 1 dist 9.11768 10.0606 9.63449 9.22202 7.07839 12.8332 numMergedOcc 0
56 mol 85 unq 8 iso 0 dist 9.11768 9.22202 7.07839 15.5226 9.09711 7.6242 numMergedOcc 0
57 mol 85 unq 8 iso 1 dist 9.11768 15.5226 9.09711 9.22202 7.07839 7.6242 numMergedOcc 0
58 mol 85 unq 7 iso 0 dist 9.11768 10.5854 7.04244 10.0606 9.63449 15.509 numMergedOcc 0
59 mol 85 unq 7 iso 1 dist 9.11768 10.0606 9.63449 10.5854 7.04244 15.509 numMergedOcc 0
60 mol 85 unq 8 iso 0 dist 9.11768 10.5854 7.04244 15.5226 9.09711 10.1757 numMergedOcc 0
61 mol 85 unq 8 iso 1 dist 9.11768 15.5226 9.09711 10.5854 7.04244 10.1757 numMergedOcc 0
62 mol 85 unq 8 iso 0 dist 9.11768 10.0606 9.63449 15.5226 9.09711 17.7038 numMergedOcc 0
63 mol 85 unq 8 iso 1 dist 9.11768 15.5226 9.09711 10.0606 9.63449 17.7038 numMergedOcc 0
64 mol 107 unq 0 iso 0 dist 9.45682 17.9917 8.88124 11.8593 8.19484 13.5807 numMergedOcc 0
65 mol 107 unq 0 iso 1 dist 9.45682 11.8593 8.19484 17.9917 8.88124 13.5807 numMergedOcc 0
66 mol 111 unq 0 iso 0 dist 9.06601 6.34994 4.91212 8.26306 9.74162 6.13173 numMergedOcc 0
67 mol 111 unq 0 iso 1 dist 9.06601 8.26306 9.74162 6.34994 4.91212 6.13173 numMergedOcc 0
68 mol 113 unq 0 iso 0 dist 8.99912 6.54263 4.49669 3.92558 5.88896 2.75715 numMergedOcc 0
69 mol 113 unq 0 iso 1 dist 8.99912 3.92558 5.88896 6.54263 4.49669 2.75715 numMergedOcc 0
70 mol 115 unq 0 iso 0 dist 4.76974 3.98154 5.86379 6.61688 6.21029 3.19822 numMergedOcc 0
71 mol 115 unq 0 iso 1 dist 4.76974 6.61688 6.21029 3.98154 5.86379 3.19822 numMergedOcc 0
72 mol 115 unq 1 iso 0 dist 8.0336 3.98154 8.64686 6.61688 8.16325 3.19822 numMergedOcc 0
73 mol 115 unq 1 iso 1 dist 8.0336 6.61688 8.16325 3.98154 8.64686 3.19822 numMergedOcc 0
74 mol 115 unq 2 iso 0 dist 5.93278 4.18693 5.86379 7.41059 8.64686 3.66281 numMergedOcc 0
75 mol 115 unq 2 iso 1 dist 5.93278 7.41059 8.64686 4.18693 5.86379 3.66281 numMergedOcc 0
76 mol 115 unq 3 iso 0 dist 6.19918 4.18693 6.21029 7.41059 8.16325 3.66281 numMergedOcc 0
77 mol 115 unq 3 iso 1 dist 6.19918 7.41059 8.16325 4.18693 6.21029 3.66281 numMergedOcc 0
78 mol 120 unq 0 iso 0 dist 7.53694 3.824 7.84207 4.96885 8.56947 8.68088 numMergedOcc 0
79 mol 120 unq 0 iso 1 dist 7.53694 4.96885 8.56947 3.824 7.84207 8.68088 numMergedOcc 0
80 mol 120 unq 1 iso 0 dist 8.38358 9.4846 9.31385 3.824 6.98791 5.7181 numMergedOcc 0
81 mol 120 unq 1 iso 1 dist 8.38358 3.824 6.98791 9.4846 9.31385 5.7181 numMergedOcc 0
82 mol 120 unq 2 iso 0 dist 6.42623 5.61274 7.84207 3.35803 6.98791 5.26524 numMergedOcc 0
83 mol 120 unq 2 iso 1 dist 6.42623 3.35803 6.98791 5.61274 7.84207 5.26524 numMergedOcc 0
84 mol 123 unq 0 iso 0 dist 8.111 12.2105 5.56127 12.5368 8.03692 10.2185 numMergedOcc 0
85 mol 123 unq 0 iso 1 dist 8.111 12.5368 8.03692 12.2105 5.56127 10.2185 numMergedOcc 0
86 mol 123 unq 1 iso 0 dist 8.111 12.2105 5.56127 6.21159 5.36214 8.29136 numMergedOcc 0
87 mol 123 unq 1 iso 1 dist 8.111 6.21159 5.36214 12.2105 5.56127 8.29136 numMergedOcc 0
88 mol 123 unq 1 iso 0 dist 8.111 12.5368 8.03692 6.21159 5.36214 13.0033 numMergedOcc 0
89 mol 123 unq 1 iso 1 dist 8.111 6.21159 5.36214 12.5368 8.03692 13.0033 numMergedOcc 0
90 mol 147 unq 0 iso 0 dist 8.39897 7.06219 3.82583 4.19634 5.19116 3.00464 numMergedOcc 0
91 mol 147 unq 0 iso 1 dist 8.39897 4.19634 5.19116 7.06219 3.82583 3.00464 numMergedOcc 0
92 mol 147 unq 1 iso 0 dist 9.03078 6.04074 3.82583 6.24579 5.19116 3.00464 numMergedOcc 0
93 mol 147 unq 1 iso 1 dist 9.03078 6.24579 5.19116 6.04074 3.82583 3.00464 numMergedOcc 0
94 mol 168 unq 0 iso 0 dist 7.48734 3.42733 5.86767 8.91606 5.28353 6.37254 numMergedOcc 0
95 mol 168 unq 0 iso 1 dist 7.48734 8.91606 5.28353 3.42733 5.86767 6.37254 numMergedOcc 0
96 mol 168 unq 1 iso 0 dist 5.6125 6.57536 5.86767 4.07587 5.28353 6.37254 numMergedOcc 0
97 mol 168 unq 1 iso 1 dist 5.6125 4.07587 5.28353 6.57536 5.86767 6.37254 numMergedOcc 0
98 mol 186 unq 0 iso 0 dist 5.90765 12.1883 7.25595 6.89146 9.94825 12.8007 numMergedOcc 0
99 mol 186 unq 0 iso 1 dist 5.90765 6.89146 9.94825 12.1883 7.25595 12.8007 numMergedOcc 0
100 mol 194 unq 0 iso 0 dist 9.38984 11.6641 4.68722 7.3365 5.18325 5.61057 numMergedOcc 0
101 mol 194 unq 0 iso 1 dist 9.38984 7.3365 5.18325 11.6641 4.68722 5.61057 numMergedOcc 0
102 mol 194 unq 1 iso 0 dist 9.91118 10.0534 4.68722 6.3514 5.18325 5.61057 numMergedOcc 0
103 mol 194 unq 1 iso 1 dist 9.91118 6.3514 5.18325 10.0534 4.68722 5.61057 numMergedOcc 0
104 mol 266 unq 0 iso 0 dist 9.29666 14.5358 7.80711 18.7228 9.9965 11.938 numMergedOcc 0
105 mol 266 unq 0 iso 1 dist 9.29666 18.7228 9.9965 14.5358 7.80711 11.938 numMergedOcc 0
106 mol 277 unq 0 iso 0 dist 9.54359 13.7583 7.98956 13.6433 5.86185 3.41319 numMergedOcc 0
107 mol 277 unq 0 iso 1 dist 9.54359 13.6433 5.86185 13.7583 7.98956 3.41319 numMergedOcc 0
108 mol 277 unq 1 iso 0 dist 9.54359 13.7583 7.98956 10.469 6.79748 13.9697 numMergedOcc 0
109 mol 277 unq 1 iso 1 dist 9.54359 10.469 6.79748 13.7583 7.98956 13.9697 numMergedOcc 0
110 mol 277 unq 1 iso 0 dist 9.54359 13.6433 5.86185 10.469 6.79748 12.1514 numMergedOcc 0
111 mol 277 unq 1 iso 1 dist 9.54359 10.469 6.79748 13.6433 5.86185 12.1514 numMergedOcc 0
112 mol 277 unq 2 iso 0 dist 5.69112 11.8607 7.98956 10.9137 5.86185 3.41319 numMergedOcc 0
113 mol 277 unq 2 iso 1 dist 5.69112 10.9137 5.86185 11.8607 7.98956 3.41319 numMergedOcc 0
114 mol 277 unq 3 iso 0 dist 5.69112 11.8607 7.98956 5.09884 6.79748 13.9697 numMergedOcc 0
115 mol 277 unq 3 iso 1 dist 5.69112 5.09884 6.79748 11.8607 7.98956 13.9697 numMergedOcc 0
116 mol 277 unq 3 iso 0 dist 5.69112 10.9137 5.86185 5.09884 6.79748 12.1514 numMergedOcc 0
117 mol 277 unq 3 iso 1 dist 5.69112 5.09884 6.79748 10.9137 5.86185 12.1514 numMergedOcc 0
118 mol 281 unq 0 iso 0 dist 5.50053 12.8596 7.90368 5.19196 6.69267 12.7734 numMergedOcc 0
119 mol 281 unq 0 iso 1 dist 5.50053 5.19196 6.69267 12.8596 7.90368 12.7734 numMergedOcc 0
120 mol 281 unq 1 iso 0 dist 7.33334 11.0049 5.33372 5.19196 6.56886 10.2487 numMergedOcc 0
121 mol 281 unq 1 iso 1 dist 7.33334 5.19196 6.56886 11.0049 5.33372 10.2487 numMergedOcc 0
