0 mol 11 unq 0 iso 0 dist 4.61088 8.68293 7.28643 6.84216 9.68636 14.8738 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 4.61088 6.84216 9.68636 8.68293 7.28643 14.8738 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 7.49157 8.66248 7.73794 6.73521 4.10458 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.86014 7.73794 6.73521 7.49157 8.66248 4.10458 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.54419 8.23075 6.7846 4.7841 8.03955 6.0925 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 5.54419 4.7841 8.03955 8.23075 6.7846 6.0925 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.34347 7.98005 12.5438 8.31381 8.39015 6.92384 numMergedOcc 0
7 mol 26 unq 0 iso 1 dist 8.34347 8.31381 8.39015 7.98005 12.5438 6.92384 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 7.99312 9.17982 4.11117 9.62869 4.77073 8.4027 numMergedOcc 0
9 mol 41 unq 0 iso 1 dist 7.99312 9.62869 4.77073 9.17982 4.11117 8.4027 numMergedOcc 0
10 mol 41 unq 1 iso 0 dist 7.99312 9.17982 4.11117 6.40219 6.69486 4.89793 numMergedOcc 0
11 mol 41 unq 1 iso 1 dist 7.99312 6.40219 6.69486 9.17982 4.11117 4.89793 numMergedOcc 0
12 mol 41 unq 1 iso 0 dist 7.99312 9.62869 4.77073 6.40219 6.69486 10.876 numMergedOcc 0
13 mol 41 unq 1 iso 1 dist 7.99312 6.40219 6.69486 9.62869 4.77073 10.876 numMergedOcc 0
14 mol 41 unq 2 iso 0 dist 8.2183 9.17982 4.81484 9.62869 7.03449 8.4027 numMergedOcc 0
15 mol 41 unq 2 iso 1 dist 8.2183 9.62869 7.03449 9.17982 4.81484 8.4027 numMergedOcc 0
16 mol 41 unq 3 iso 0 dist 8.2183 9.17982 4.81484 6.40219 7.02983 4.89793 numMergedOcc 0
17 mol 41 unq 3 iso 1 dist 8.2183 6.40219 7.02983 9.17982 4.81484 4.89793 numMergedOcc 0
18 mol 41 unq 3 iso 0 dist 8.2183 9.62869 7.03449 6.40219 7.02983 10.876 numMergedOcc 0
19 mol 41 unq 3 iso 1 dist 8.2183 6.40219 7.02983 9.62869 7.03449 10.876 numMergedOcc 0
20 mol 58 unq 0 iso 0 dist 7.32874 8.34191 8.44881 6.39747 4.25144 5.96988 numMergedOcc 0
21 mol 58 unq 0 iso 1 dist 7.32874 6.39747 4.25144 8.34191 8.44881 5.96988 numMergedOcc 0
22 mol 78 unq 0 iso 0 dist 7.9245 9.85512 5.34874 8.97888 3.68023 3.46822 numMergedOcc 0
23 mol 78 unq 0 iso 1 dist 7.9245 8.97888 3.68023 9.85512 5.34874 3.46822 numMergedOcc 0
24 mol 88 unq 0 iso 0 dist 9.36773 9.07128 10.8406 6.65615 4.47193 7.57886 numMergedOcc 0
25 mol 88 unq 0 iso 1 dist 9.36773 6.65615 4.47193 9.07128 10.8406 7.57886 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 5.86073 9.59585 13.0914 9.7073 12.5818 9.78508 numMergedOcc 0
27 mol 113 unq 0 iso 1 dist 5.86073 9.7073 12.5818 9.59585 13.0914 9.78508 numMergedOcc 0
28 mol 113 unq 1 iso 0 dist 5.86073 7.02367 5.37655 9.30832 5.46207 10.8127 numMergedOcc 0
29 mol 113 unq 1 iso 1 dist 5.86073 9.30832 5.46207 7.02367 5.37655 10.8127 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 6.90986 5.93278 6.34182 6.19918 8.66957 3.19822 numMergedOcc 0
31 mol 115 unq 0 iso 1 dist 6.90986 6.19918 8.66957 5.93278 6.34182 3.19822 numMergedOcc 0
32 mol 115 unq 1 iso 0 dist 5.39945 5.93278 3.98154 6.19918 6.61688 3.19822 numMergedOcc 0
33 mol 115 unq 1 iso 1 dist 5.39945 6.19918 6.61688 5.93278 3.98154 3.19822 numMergedOcc 0
34 mol 115 unq 2 iso 0 dist 5.39945 4.76974 4.18693 8.0336 7.41059 3.66281 numMergedOcc 0
35 mol 115 unq 2 iso 1 dist 5.39945 8.0336 7.41059 4.76974 4.18693 3.66281 numMergedOcc 0
36 mol 120 unq 0 iso 0 dist 8.75408 6.42623 5.6295 8.95899 8.97962 8.68088 numMergedOcc 0
37 mol 120 unq 0 iso 1 dist 8.75408 8.95899 8.97962 6.42623 5.6295 8.68088 numMergedOcc 0
38 mol 120 unq 1 iso 0 dist 6.44653 6.42623 3.824 8.95899 4.96885 8.68088 numMergedOcc 0
39 mol 120 unq 1 iso 1 dist 6.44653 8.95899 4.96885 6.42623 3.824 8.68088 numMergedOcc 0
40 mol 120 unq 2 iso 0 dist 6.44653 7.53694 5.61274 8.38358 3.35803 5.26524 numMergedOcc 0
41 mol 120 unq 2 iso 1 dist 6.44653 8.38358 3.35803 7.53694 5.61274 5.26524 numMergedOcc 0
42 mol 127 unq 0 iso 0 dist 8.14887 5.39356 10.2024 9.92746 5.4328 10.4915 numMergedOcc 0
43 mol 127 unq 0 iso 1 dist 8.14887 9.92746 5.4328 5.39356 10.2024 10.4915 numMergedOcc 0
44 mol 127 unq 1 iso 0 dist 9.30299 5.39356 12.7606 9.92746 12.6193 10.4915 numMergedOcc 0
45 mol 127 unq 1 iso 1 dist 9.30299 9.92746 12.6193 5.39356 12.7606 10.4915 numMergedOcc 0
46 mol 129 unq 0 iso 0 dist 8.54584 7.97548 12.5321 9.64164 11.3755 5.83342 numMergedOcc 0
47 mol 129 unq 0 iso 1 dist 8.54584 9.64164 11.3755 7.97548 12.5321 5.83342 numMergedOcc 0
48 mol 152 unq 0 iso 0 dist 5.87555 6.79114 4.68615 7.59457 4.73288 6.01609 numMergedOcc 0
49 mol 152 unq 0 iso 1 dist 5.87555 7.59457 4.73288 6.79114 4.68615 6.01609 numMergedOcc 0
50 mol 152 unq 1 iso 0 dist 8.87437 6.79114 9.35878 7.59457 4.70284 6.01609 numMergedOcc 0
51 mol 152 unq 1 iso 1 dist 8.87437 7.59457 4.70284 6.79114 9.35878 6.01609 numMergedOcc 0
52 mol 169 unq 0 iso 0 dist 8.49164 9.37946 17.056 9.13646 13.8168 9.48187 numMergedOcc 0
53 mol 169 unq 0 iso 1 dist 8.49164 9.13646 13.8168 9.37946 17.056 9.48187 numMergedOcc 0
54 mol 169 unq 1 iso 0 dist 8.49164 9.37946 17.056 8.34216 11.1511 12.9271 numMergedOcc 0
55 mol 169 unq 1 iso 1 dist 8.49164 8.34216 11.1511 9.37946 17.056 12.9271 numMergedOcc 0
56 mol 169 unq 1 iso 0 dist 8.49164 9.13646 13.8168 8.34216 11.1511 5.14059 numMergedOcc 0
57 mol 169 unq 1 iso 1 dist 8.49164 8.34216 11.1511 9.13646 13.8168 5.14059 numMergedOcc 0
58 mol 231 unq 0 iso 0 dist 7.37839 9.9868 16.456 7.3268 6.63423 13.1222 numMergedOcc 0
59 mol 231 unq 0 iso 1 dist 7.37839 7.3268 6.63423 9.9868 16.456 13.1222 numMergedOcc 0
60 mol 231 unq 1 iso 0 dist 8.40182 9.9868 17.7601 7.3268 10.3815 13.1222 numMergedOcc 0
61 mol 231 unq 1 iso 1 dist 8.40182 7.3268 10.3815 9.9868 17.7601 13.1222 numMergedOcc 0
62 mol 232 unq 0 iso 0 dist 8.27212 8.25985 4.04428 9.27788 4.22149 6.61868 numMergedOcc 0
63 mol 232 unq 0 iso 1 dist 8.27212 9.27788 4.22149 8.25985 4.04428 6.61868 numMergedOcc 0
64 mol 253 unq 0 iso 0 dist 7.32223 9.19385 5.85692 7.14243 9.00842 11.5519 numMergedOcc 0
65 mol 253 unq 0 iso 1 dist 7.32223 7.14243 9.00842 9.19385 5.85692 11.5519 numMergedOcc 0
66 mol 253 unq 1 iso 0 dist 7.32223 9.19385 5.85692 5.77511 11.5574 13.6905 numMergedOcc 0
67 mol 253 unq 1 iso 1 dist 7.32223 5.77511 11.5574 9.19385 5.85692 13.6905 numMergedOcc 0
68 mol 253 unq 2 iso 0 dist 7.32223 9.19385 5.85692 7.81382 12.8384 15.953 numMergedOcc 0
69 mol 253 unq 2 iso 1 dist 7.32223 7.81382 12.8384 9.19385 5.85692 15.953 numMergedOcc 0
70 mol 253 unq 1 iso 0 dist 7.32223 7.14243 9.00842 5.77511 11.5574 5.35859 numMergedOcc 0
71 mol 253 unq 1 iso 1 dist 7.32223 5.77511 11.5574 7.14243 9.00842 5.35859 numMergedOcc 0
72 mol 253 unq 2 iso 0 dist 7.32223 7.14243 9.00842 7.81382 12.8384 6.37556 numMergedOcc 0
73 mol 253 unq 2 iso 1 dist 7.32223 7.81382 12.8384 7.14243 9.00842 6.37556 numMergedOcc 0
74 mol 253 unq 2 iso 0 dist 7.32223 5.77511 11.5574 7.81382 12.8384 3.10832 numMergedOcc 0
75 mol 253 unq 2 iso 1 dist 7.32223 7.81382 12.8384 5.77511 11.5574 3.10832 numMergedOcc 0
76 mol 253 unq 3 iso 0 dist 8.31064 9.19385 6.0222 7.14243 6.93212 11.5519 numMergedOcc 0
77 mol 253 unq 3 iso 1 dist 8.31064 7.14243 6.93212 9.19385 6.0222 11.5519 numMergedOcc 0
78 mol 253 unq 4 iso 0 dist 8.31064 9.19385 6.0222 5.77511 10.2118 13.6905 numMergedOcc 0
79 mol 253 unq 4 iso 1 dist 8.31064 5.77511 10.2118 9.19385 6.0222 13.6905 numMergedOcc 0
80 mol 253 unq 5 iso 0 dist 8.31064 9.19385 6.0222 7.81382 12.4811 15.953 numMergedOcc 0
81 mol 253 unq 5 iso 1 dist 8.31064 7.81382 12.4811 9.19385 6.0222 15.953 numMergedOcc 0
82 mol 253 unq 4 iso 0 dist 8.31064 7.14243 6.93212 5.77511 10.2118 5.35859 numMergedOcc 0
83 mol 253 unq 4 iso 1 dist 8.31064 5.77511 10.2118 7.14243 6.93212 5.35859 numMergedOcc 0
84 mol 253 unq 5 iso 0 dist 8.31064 7.14243 6.93212 7.81382 12.4811 6.37556 numMergedOcc 0
85 mol 253 unq 5 iso 1 dist 8.31064 7.81382 12.4811 7.14243 6.93212 6.37556 numMergedOcc 0
86 mol 253 unq 5 iso 0 dist 8.31064 5.77511 10.2118 7.81382 12.4811 3.10832 numMergedOcc 0
87 mol 253 unq 5 iso 1 dist 8.31064 7.81382 12.4811 5.77511 10.2118 3.10832 numMergedOcc 0
88 mol 253 unq 6 iso 0 dist 6.73034 8.94786 8.57513 9.1927 6.0222 6.8233 numMergedOcc 0
89 mol 253 unq 6 iso 1 dist 6.73034 9.1927 6.0222 8.94786 8.57513 6.8233 numMergedOcc 0
90 mol 253 unq 7 iso 0 dist 6.73034 8.94786 8.57513 9.60694 6.93212 15.2509 numMergedOcc 0
91 mol 253 unq 7 iso 1 dist 6.73034 9.60694 6.93212 8.94786 8.57513 15.2509 numMergedOcc 0
92 mol 253 unq 8 iso 0 dist 6.73034 8.94786 8.57513 9.27311 10.2118 17.0369 numMergedOcc 0
93 mol 253 unq 8 iso 1 dist 6.73034 9.27311 10.2118 8.94786 8.57513 17.0369 numMergedOcc 0
94 mol 253 unq 7 iso 0 dist 6.73034 9.1927 6.0222 9.60694 6.93212 11.5519 numMergedOcc 0
95 mol 253 unq 7 iso 1 dist 6.73034 9.60694 6.93212 9.1927 6.0222 11.5519 numMergedOcc 0
96 mol 253 unq 8 iso 0 dist 6.73034 9.1927 6.0222 9.27311 10.2118 13.6905 numMergedOcc 0
97 mol 253 unq 8 iso 1 dist 6.73034 9.27311 10.2118 9.1927 6.0222 13.6905 numMergedOcc 0
98 mol 253 unq 8 iso 0 dist 6.73034 9.60694 6.93212 9.27311 10.2118 5.35859 numMergedOcc 0
99 mol 253 unq 8 iso 1 dist 6.73034 9.27311 10.2118 9.60694 6.93212 5.35859 numMergedOcc 0
100 mol 258 unq 0 iso 0 dist 6.97229 7.12221 6.24714 5.4557 4.02333 8.40845 numMergedOcc 0
101 mol 258 unq 0 iso 1 dist 6.97229 5.4557 4.02333 7.12221 6.24714 8.40845 numMergedOcc 0
102 mol 259 unq 0 iso 0 dist 5.30224 9.18798 5.96249 8.25897 5.97386 4.6865 numMergedOcc 0
103 mol 259 unq 0 iso 1 dist 5.30224 8.25897 5.97386 9.18798 5.96249 4.6865 numMergedOcc 0
104 mol 277 unq 0 iso 0 dist 9.7748 4.9764 11.8607 6.36559 10.9137 3.41319 numMergedOcc 0
105 mol 277 unq 0 iso 1 dist 9.7748 6.36559 10.9137 4.9764 11.8607 3.41319 numMergedOcc 0
106 mol 277 unq 1 iso 0 dist 9.7748 5.69112 7.75371 7.2091 11.3546 3.75238 numMergedOcc 0
107 mol 277 unq 1 iso 1 dist 9.7748 7.2091 11.3546 5.69112 7.75371 3.75238 numMergedOcc 0
108 mol 292 unq 0 iso 0 dist 8.2734 6.69619 4.02751 4.49592 5.99797 3.75963 numMergedOcc 0
109 mol 292 unq 0 iso 1 dist 8.2734 4.49592 5.99797 6.69619 4.02751 3.75963 numMergedOcc 0
