0 mol 11 unq 0 iso 0 dist 5.7435 4.08268 4.30695 4.24301 6.35398 7.0964 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 5.7435 4.24301 6.35398 4.08268 4.30695 7.0964 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 6.53276 8.23446 14.1082 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.54519 6.53276 8.23446 12.1061 8.4051 14.1082 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.54519 12.1061 8.4051 6.81998 8.75662 9.62033 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 9.54519 6.81998 8.75662 12.1061 8.4051 9.62033 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.54519 6.53276 8.23446 6.81998 8.75662 11.342 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 9.54519 6.81998 8.75662 6.53276 8.23446 11.342 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.11056 11.095 8.60554 4.04757 8.44664 14.1496 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 6.11056 4.04757 8.44664 11.095 8.60554 14.1496 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 6.11056 11.095 8.60554 6.66757 9.44691 9.62033 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 6.11056 6.66757 9.44691 11.095 8.60554 9.62033 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 6.11056 4.04757 8.44664 6.66757 9.44691 10.4263 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 6.11056 6.66757 9.44691 4.04757 8.44664 10.4263 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 8.40051 4.32173 6.16347 15.9662 7.92503 12.7398 numMergedOcc 0
15 mol 25 unq 0 iso 1 dist 8.40051 15.9662 7.92503 4.32173 6.16347 12.7398 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 8.6396 4.32173 7.45383 16.0077 9.01548 12.6805 numMergedOcc 0
17 mol 25 unq 1 iso 1 dist 8.6396 16.0077 9.01548 4.32173 7.45383 12.6805 numMergedOcc 0
18 mol 65 unq 0 iso 0 dist 8.76461 6.59475 6.72639 11.8419 9.34791 5.56801 numMergedOcc 0
19 mol 65 unq 0 iso 1 dist 8.76461 11.8419 9.34791 6.59475 6.72639 5.56801 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 8.4545 12.49 8.18107 4.1125 5.9465 9.38827 numMergedOcc 0
21 mol 92 unq 0 iso 1 dist 8.4545 4.1125 5.9465 12.49 8.18107 9.38827 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 7.01176 12.49 9.8859 4.1125 6.97962 9.38827 numMergedOcc 0
23 mol 92 unq 1 iso 1 dist 7.01176 4.1125 6.97962 12.49 9.8859 9.38827 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 8.35636 9.74143 7.02927 9.51381 6.60933 10.6137 numMergedOcc 0
25 mol 109 unq 0 iso 1 dist 8.35636 9.51381 6.60933 9.74143 7.02927 10.6137 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 9.01097 9.66219 4.09459 numMergedOcc 0
27 mol 113 unq 0 iso 1 dist 8.89481 9.01097 9.66219 11.2266 8.8822 4.09459 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 5.63005 4.01593 6.52773 13.1254 9.23858 12.3703 numMergedOcc 0
29 mol 119 unq 0 iso 1 dist 5.63005 13.1254 9.23858 4.01593 6.52773 12.3703 numMergedOcc 0
30 mol 122 unq 0 iso 0 dist 6.78949 4.21285 8.88537 6.93382 9.23819 5.03547 numMergedOcc 0
31 mol 122 unq 0 iso 1 dist 6.78949 6.93382 9.23819 4.21285 8.88537 5.03547 numMergedOcc 0
32 mol 122 unq 1 iso 0 dist 9.40018 9.33734 8.88537 4.81033 9.23819 5.03547 numMergedOcc 0
33 mol 122 unq 1 iso 1 dist 9.40018 4.81033 9.23819 9.33734 8.88537 5.03547 numMergedOcc 0
34 mol 129 unq 0 iso 0 dist 6.38163 7.03404 6.28565 4.92611 7.58957 7.91034 numMergedOcc 0
35 mol 129 unq 0 iso 1 dist 6.38163 4.92611 7.58957 7.03404 6.28565 7.91034 numMergedOcc 0
36 mol 131 unq 0 iso 0 dist 7.81337 4.34786 8.70296 11.6607 9.25558 14.5627 numMergedOcc 0
37 mol 131 unq 0 iso 1 dist 7.81337 11.6607 9.25558 4.34786 8.70296 14.5627 numMergedOcc 0
38 mol 133 unq 0 iso 0 dist 9.50322 16.7326 9.22232 10.2948 9.22661 18.2432 numMergedOcc 0
39 mol 133 unq 0 iso 1 dist 9.50322 10.2948 9.22661 16.7326 9.22232 18.2432 numMergedOcc 0
40 mol 133 unq 1 iso 0 dist 9.50322 16.7326 9.22232 11.6924 7.56378 15.4484 numMergedOcc 0
41 mol 133 unq 1 iso 1 dist 9.50322 11.6924 7.56378 16.7326 9.22232 15.4484 numMergedOcc 0
42 mol 133 unq 1 iso 0 dist 9.50322 10.2948 9.22661 11.6924 7.56378 7.33253 numMergedOcc 0
43 mol 133 unq 1 iso 1 dist 9.50322 11.6924 7.56378 10.2948 9.22661 7.33253 numMergedOcc 0
44 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 11.347 8.91301 4.30566 numMergedOcc 0
45 mol 143 unq 0 iso 1 dist 8.30654 11.347 8.91301 11.6678 7.78652 4.30566 numMergedOcc 0
46 mol 159 unq 0 iso 0 dist 7.97007 4.49716 9.17787 6.69743 8.4858 7.73341 numMergedOcc 0
47 mol 159 unq 0 iso 1 dist 7.97007 6.69743 8.4858 4.49716 9.17787 7.73341 numMergedOcc 0
48 mol 195 unq 0 iso 0 dist 7.63036 7.14066 7.36683 4.58275 6.95086 9.90317 numMergedOcc 0
49 mol 195 unq 0 iso 1 dist 7.63036 4.58275 6.95086 7.14066 7.36683 9.90317 numMergedOcc 0
50 mol 206 unq 0 iso 0 dist 9.36079 10.9922 6.16414 9.89331 7.33701 6.46458 numMergedOcc 0
51 mol 206 unq 0 iso 1 dist 9.36079 9.89331 7.33701 10.9922 6.16414 6.46458 numMergedOcc 0
52 mol 206 unq 1 iso 0 dist 9.36079 10.9922 6.16414 8.83984 8.0871 9.9892 numMergedOcc 0
53 mol 206 unq 1 iso 1 dist 9.36079 8.83984 8.0871 10.9922 6.16414 9.9892 numMergedOcc 0
54 mol 206 unq 1 iso 0 dist 9.36079 9.89331 7.33701 8.83984 8.0871 4.38701 numMergedOcc 0
55 mol 206 unq 1 iso 1 dist 9.36079 8.83984 8.0871 9.89331 7.33701 4.38701 numMergedOcc 0
56 mol 206 unq 2 iso 0 dist 7.42904 8.16827 6.16414 6.06766 7.33701 6.46458 numMergedOcc 0
57 mol 206 unq 2 iso 1 dist 7.42904 6.06766 7.33701 8.16827 6.16414 6.46458 numMergedOcc 0
58 mol 206 unq 3 iso 0 dist 7.42904 8.16827 6.16414 5.82916 8.0871 9.9892 numMergedOcc 0
59 mol 206 unq 3 iso 1 dist 7.42904 5.82916 8.0871 8.16827 6.16414 9.9892 numMergedOcc 0
60 mol 206 unq 3 iso 0 dist 7.42904 6.06766 7.33701 5.82916 8.0871 4.38701 numMergedOcc 0
61 mol 206 unq 3 iso 1 dist 7.42904 5.82916 8.0871 6.06766 7.33701 4.38701 numMergedOcc 0
62 mol 212 unq 0 iso 0 dist 5.87223 9.39384 9.74144 6.48939 8.69988 12.5482 numMergedOcc 0
63 mol 212 unq 0 iso 1 dist 5.87223 6.48939 8.69988 9.39384 9.74144 12.5482 numMergedOcc 0
64 mol 212 unq 1 iso 0 dist 5.87223 9.39384 9.74144 5.81626 8.55903 15.0034 numMergedOcc 0
65 mol 212 unq 1 iso 1 dist 5.87223 5.81626 8.55903 9.39384 9.74144 15.0034 numMergedOcc 0
66 mol 212 unq 2 iso 0 dist 5.87223 9.39384 9.74144 5.94698 7.15603 5.24023 numMergedOcc 0
67 mol 212 unq 2 iso 1 dist 5.87223 5.94698 7.15603 9.39384 9.74144 5.24023 numMergedOcc 0
68 mol 212 unq 1 iso 0 dist 5.87223 6.48939 8.69988 5.81626 8.55903 6.18191 numMergedOcc 0
69 mol 212 unq 1 iso 1 dist 5.87223 5.81626 8.55903 6.48939 8.69988 6.18191 numMergedOcc 0
70 mol 212 unq 2 iso 0 dist 5.87223 6.48939 8.69988 5.94698 7.15603 7.34372 numMergedOcc 0
71 mol 212 unq 2 iso 1 dist 5.87223 5.94698 7.15603 6.48939 8.69988 7.34372 numMergedOcc 0
72 mol 212 unq 2 iso 0 dist 5.87223 5.81626 8.55903 5.94698 7.15603 10.7093 numMergedOcc 0
73 mol 212 unq 2 iso 1 dist 5.87223 5.94698 7.15603 5.81626 8.55903 10.7093 numMergedOcc 0
74 mol 212 unq 3 iso 0 dist 8.062 4.69067 9.74144 10.4595 8.69988 12.5482 numMergedOcc 0
75 mol 212 unq 3 iso 1 dist 8.062 10.4595 8.69988 4.69067 9.74144 12.5482 numMergedOcc 0
76 mol 212 unq 4 iso 0 dist 8.062 4.69067 9.74144 14.0193 8.55903 15.0034 numMergedOcc 0
77 mol 212 unq 4 iso 1 dist 8.062 14.0193 8.55903 4.69067 9.74144 15.0034 numMergedOcc 0
78 mol 212 unq 5 iso 0 dist 8.062 4.69067 9.74144 4.18086 7.15603 5.24023 numMergedOcc 0
79 mol 212 unq 5 iso 1 dist 8.062 4.18086 7.15603 4.69067 9.74144 5.24023 numMergedOcc 0
80 mol 212 unq 4 iso 0 dist 8.062 10.4595 8.69988 14.0193 8.55903 6.18191 numMergedOcc 0
81 mol 212 unq 4 iso 1 dist 8.062 14.0193 8.55903 10.4595 8.69988 6.18191 numMergedOcc 0
82 mol 212 unq 5 iso 0 dist 8.062 10.4595 8.69988 4.18086 7.15603 7.34372 numMergedOcc 0
83 mol 212 unq 5 iso 1 dist 8.062 4.18086 7.15603 10.4595 8.69988 7.34372 numMergedOcc 0
84 mol 212 unq 5 iso 0 dist 8.062 14.0193 8.55903 4.18086 7.15603 10.7093 numMergedOcc 0
85 mol 212 unq 5 iso 1 dist 8.062 4.18086 7.15603 14.0193 8.55903 10.7093 numMergedOcc 0
86 mol 212 unq 6 iso 0 dist 8.70011 5.37854 9.74144 8.87823 8.69988 12.5482 numMergedOcc 0
87 mol 212 unq 6 iso 1 dist 8.70011 8.87823 8.69988 5.37854 9.74144 12.5482 numMergedOcc 0
88 mol 212 unq 7 iso 0 dist 8.70011 5.37854 9.74144 10.7245 8.55903 15.0034 numMergedOcc 0
89 mol 212 unq 7 iso 1 dist 8.70011 10.7245 8.55903 5.37854 9.74144 15.0034 numMergedOcc 0
90 mol 212 unq 8 iso 0 dist 8.70011 5.37854 9.74144 3.74692 7.15603 5.24023 numMergedOcc 0
91 mol 212 unq 8 iso 1 dist 8.70011 3.74692 7.15603 5.37854 9.74144 5.24023 numMergedOcc 0
92 mol 212 unq 7 iso 0 dist 8.70011 8.87823 8.69988 10.7245 8.55903 6.18191 numMergedOcc 0
93 mol 212 unq 7 iso 1 dist 8.70011 10.7245 8.55903 8.87823 8.69988 6.18191 numMergedOcc 0
94 mol 212 unq 8 iso 0 dist 8.70011 8.87823 8.69988 3.74692 7.15603 7.34372 numMergedOcc 0
95 mol 212 unq 8 iso 1 dist 8.70011 3.74692 7.15603 8.87823 8.69988 7.34372 numMergedOcc 0
96 mol 212 unq 8 iso 0 dist 8.70011 10.7245 8.55903 3.74692 7.15603 10.7093 numMergedOcc 0
97 mol 212 unq 8 iso 1 dist 8.70011 3.74692 7.15603 10.7245 8.55903 10.7093 numMergedOcc 0
98 mol 222 unq 0 iso 0 dist 9.55777 12.979 7.67576 4.05539 9.82371 11.3283 numMergedOcc 0
99 mol 222 unq 0 iso 1 dist 9.55777 4.05539 9.82371 12.979 7.67576 11.3283 numMergedOcc 0
100 mol 234 unq 0 iso 0 dist 7.46434 6.06471 6.30154 11.1213 7.32499 10.0708 numMergedOcc 0
101 mol 234 unq 0 iso 1 dist 7.46434 11.1213 7.32499 6.06471 6.30154 10.0708 numMergedOcc 0
102 mol 234 unq 1 iso 0 dist 7.50424 11.2248 6.30154 10.6488 7.32499 10.0708 numMergedOcc 0
103 mol 234 unq 1 iso 1 dist 7.50424 10.6488 7.32499 11.2248 6.30154 10.0708 numMergedOcc 0
104 mol 274 unq 0 iso 0 dist 6.55855 6.70266 9.45514 5.15747 6.39866 10.7637 numMergedOcc 0
105 mol 274 unq 0 iso 1 dist 6.55855 5.15747 6.39866 6.70266 9.45514 10.7637 numMergedOcc 0
