0 mol 24 unq 0 iso 0 dist 6.11056 5.36722 6.72502 11.095 8.60554 6.99746 4.04757 8.44664 7.6844 14.1496 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.11056 5.36722 6.72502 4.04757 8.44664 7.6844 11.095 8.60554 6.99746 14.1496 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.11056 5.36722 6.72502 11.095 8.60554 6.99746 6.66757 9.44691 7.05541 9.62033 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.11056 5.36722 6.72502 6.66757 9.44691 7.05541 11.095 8.60554 6.99746 9.62033 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.11056 5.36722 6.72502 4.04757 8.44664 7.6844 6.66757 9.44691 7.05541 10.4263 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 6.11056 5.36722 6.72502 6.66757 9.44691 7.05541 4.04757 8.44664 7.6844 10.4263 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.40051 13.0772 6.90155 4.32173 6.16347 11.0508 15.9662 7.92503 6.61233 12.7398 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 8.40051 13.0772 6.90155 15.9662 7.92503 6.61233 4.32173 6.16347 11.0508 12.7398 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 8.6396 13.3963 6.6492 4.32173 7.45383 11.7817 16.0077 9.01548 9.12941 12.6805 numMergedOcc 0
9 mol 25 unq 1 iso 1 dist 8.6396 13.3963 6.6492 16.0077 9.01548 9.12941 4.32173 7.45383 11.7817 12.6805 numMergedOcc 0
10 mol 65 unq 0 iso 0 dist 8.76461 9.11969 9.14931 6.59475 6.72639 9.35965 11.8419 9.34791 10.7772 5.56801 numMergedOcc 0
11 mol 65 unq 0 iso 1 dist 8.76461 9.11969 9.14931 11.8419 9.34791 10.7772 6.59475 6.72639 9.35965 5.56801 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 5.63005 9.79485 8.56342 4.01593 6.52773 6.96805 13.1254 9.23858 13.3975 12.3703 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 5.63005 9.79485 8.56342 13.1254 9.23858 13.3975 4.01593 6.52773 6.96805 12.3703 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 5.63005 6.81112 6.37542 4.01593 6.52773 4.86811 13.1254 9.23858 8.00229 12.3703 numMergedOcc 0
15 mol 119 unq 1 iso 1 dist 5.63005 6.81112 6.37542 13.1254 9.23858 8.00229 4.01593 6.52773 4.86811 12.3703 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 7.81337 6.99491 9.29384 4.34786 8.70296 10.8127 11.6607 9.25558 11.2516 14.5627 numMergedOcc 0
17 mol 131 unq 0 iso 1 dist 7.81337 6.99491 9.29384 11.6607 9.25558 11.2516 4.34786 8.70296 10.8127 14.5627 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 8.30654 6.29937 8.41611 11.6678 7.78652 15.0801 11.347 8.91301 15.0315 4.30566 numMergedOcc 0
19 mol 143 unq 0 iso 1 dist 8.30654 6.29937 8.41611 11.347 8.91301 15.0315 11.6678 7.78652 15.0801 4.30566 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 8.30654 6.49958 7.63338 11.6678 7.78652 11.5146 11.347 8.91301 13.434 4.30566 numMergedOcc 0
21 mol 143 unq 1 iso 1 dist 8.30654 6.49958 7.63338 11.347 8.91301 13.434 11.6678 7.78652 11.5146 4.30566 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 8.30654 6.80782 9.03707 11.6678 7.78652 8.97873 11.347 8.91301 6.29542 4.30566 numMergedOcc 0
23 mol 143 unq 2 iso 1 dist 8.30654 6.80782 9.03707 11.347 8.91301 6.29542 11.6678 7.78652 8.97873 4.30566 numMergedOcc 0
24 mol 143 unq 3 iso 0 dist 8.30654 5.82537 7.25673 11.6678 7.78652 6.60479 11.347 8.91301 7.54337 4.30566 numMergedOcc 0
25 mol 143 unq 3 iso 1 dist 8.30654 5.82537 7.25673 11.347 8.91301 7.54337 11.6678 7.78652 6.60479 4.30566 numMergedOcc 0
26 mol 159 unq 0 iso 0 dist 7.97007 6.23157 7.25742 4.49716 9.17787 10.3427 6.69743 8.4858 7.97232 7.73341 numMergedOcc 0
27 mol 159 unq 0 iso 1 dist 7.97007 6.23157 7.25742 6.69743 8.4858 7.97232 4.49716 9.17787 10.3427 7.73341 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 7.63036 6.90444 6.60567 7.14066 7.36683 6.0634 4.58275 6.95086 6.74112 9.90317 numMergedOcc 0
29 mol 195 unq 0 iso 1 dist 7.63036 6.90444 6.60567 4.58275 6.95086 6.74112 7.14066 7.36683 6.0634 9.90317 numMergedOcc 0
30 mol 212 unq 0 iso 0 dist 5.87223 6.8255 6.29767 9.39384 9.74144 9.75095 6.48939 8.69988 12.8059 12.5482 numMergedOcc 0
31 mol 212 unq 0 iso 1 dist 5.87223 6.8255 6.29767 6.48939 8.69988 12.8059 9.39384 9.74144 9.75095 12.5482 numMergedOcc 0
32 mol 212 unq 1 iso 0 dist 5.87223 6.8255 6.29767 9.39384 9.74144 9.75095 5.81626 8.55903 10.7914 15.0034 numMergedOcc 0
33 mol 212 unq 1 iso 1 dist 5.87223 6.8255 6.29767 5.81626 8.55903 10.7914 9.39384 9.74144 9.75095 15.0034 numMergedOcc 0
34 mol 212 unq 2 iso 0 dist 5.87223 6.8255 6.29767 9.39384 9.74144 9.75095 5.94698 7.15603 9.63281 5.24023 numMergedOcc 0
35 mol 212 unq 2 iso 1 dist 5.87223 6.8255 6.29767 5.94698 7.15603 9.63281 9.39384 9.74144 9.75095 5.24023 numMergedOcc 0
36 mol 212 unq 1 iso 0 dist 5.87223 6.8255 6.29767 6.48939 8.69988 12.8059 5.81626 8.55903 10.7914 6.18191 numMergedOcc 0
37 mol 212 unq 1 iso 1 dist 5.87223 6.8255 6.29767 5.81626 8.55903 10.7914 6.48939 8.69988 12.8059 6.18191 numMergedOcc 0
38 mol 212 unq 2 iso 0 dist 5.87223 6.8255 6.29767 6.48939 8.69988 12.8059 5.94698 7.15603 9.63281 7.34372 numMergedOcc 0
39 mol 212 unq 2 iso 1 dist 5.87223 6.8255 6.29767 5.94698 7.15603 9.63281 6.48939 8.69988 12.8059 7.34372 numMergedOcc 0
40 mol 212 unq 2 iso 0 dist 5.87223 6.8255 6.29767 5.81626 8.55903 10.7914 5.94698 7.15603 9.63281 10.7093 numMergedOcc 0
41 mol 212 unq 2 iso 1 dist 5.87223 6.8255 6.29767 5.94698 7.15603 9.63281 5.81626 8.55903 10.7914 10.7093 numMergedOcc 0
42 mol 212 unq 3 iso 0 dist 5.87223 8.90296 8.74585 9.39384 9.74144 15.1535 6.48939 8.69988 4.21442 12.5482 numMergedOcc 0
43 mol 212 unq 3 iso 1 dist 5.87223 8.90296 8.74585 6.48939 8.69988 4.21442 9.39384 9.74144 15.1535 12.5482 numMergedOcc 0
44 mol 212 unq 4 iso 0 dist 5.87223 8.90296 8.74585 9.39384 9.74144 15.1535 5.81626 8.55903 6.69225 15.0034 numMergedOcc 0
45 mol 212 unq 4 iso 1 dist 5.87223 8.90296 8.74585 5.81626 8.55903 6.69225 9.39384 9.74144 15.1535 15.0034 numMergedOcc 0
46 mol 212 unq 5 iso 0 dist 5.87223 8.90296 8.74585 9.39384 9.74144 15.1535 5.94698 7.15603 10.1399 5.24023 numMergedOcc 0
47 mol 212 unq 5 iso 1 dist 5.87223 8.90296 8.74585 5.94698 7.15603 10.1399 9.39384 9.74144 15.1535 5.24023 numMergedOcc 0
48 mol 212 unq 4 iso 0 dist 5.87223 8.90296 8.74585 6.48939 8.69988 4.21442 5.81626 8.55903 6.69225 6.18191 numMergedOcc 0
49 mol 212 unq 4 iso 1 dist 5.87223 8.90296 8.74585 5.81626 8.55903 6.69225 6.48939 8.69988 4.21442 6.18191 numMergedOcc 0
50 mol 212 unq 5 iso 0 dist 5.87223 8.90296 8.74585 6.48939 8.69988 4.21442 5.94698 7.15603 10.1399 7.34372 numMergedOcc 0
51 mol 212 unq 5 iso 1 dist 5.87223 8.90296 8.74585 5.94698 7.15603 10.1399 6.48939 8.69988 4.21442 7.34372 numMergedOcc 0
52 mol 212 unq 5 iso 0 dist 5.87223 8.90296 8.74585 5.81626 8.55903 6.69225 5.94698 7.15603 10.1399 10.7093 numMergedOcc 0
53 mol 212 unq 5 iso 1 dist 5.87223 8.90296 8.74585 5.94698 7.15603 10.1399 5.81626 8.55903 6.69225 10.7093 numMergedOcc 0
54 mol 212 unq 6 iso 0 dist 8.062 11.009 6.29767 4.69067 9.74144 9.75095 10.4595 8.69988 12.8059 12.5482 numMergedOcc 0
55 mol 212 unq 6 iso 1 dist 8.062 11.009 6.29767 10.4595 8.69988 12.8059 4.69067 9.74144 9.75095 12.5482 numMergedOcc 0
56 mol 212 unq 7 iso 0 dist 8.062 11.009 6.29767 4.69067 9.74144 9.75095 14.0193 8.55903 10.7914 15.0034 numMergedOcc 0
57 mol 212 unq 7 iso 1 dist 8.062 11.009 6.29767 14.0193 8.55903 10.7914 4.69067 9.74144 9.75095 15.0034 numMergedOcc 0
58 mol 212 unq 8 iso 0 dist 8.062 11.009 6.29767 4.69067 9.74144 9.75095 4.18086 7.15603 9.63281 5.24023 numMergedOcc 0
59 mol 212 unq 8 iso 1 dist 8.062 11.009 6.29767 4.18086 7.15603 9.63281 4.69067 9.74144 9.75095 5.24023 numMergedOcc 0
60 mol 212 unq 7 iso 0 dist 8.062 11.009 6.29767 10.4595 8.69988 12.8059 14.0193 8.55903 10.7914 6.18191 numMergedOcc 0
61 mol 212 unq 7 iso 1 dist 8.062 11.009 6.29767 14.0193 8.55903 10.7914 10.4595 8.69988 12.8059 6.18191 numMergedOcc 0
62 mol 212 unq 8 iso 0 dist 8.062 11.009 6.29767 10.4595 8.69988 12.8059 4.18086 7.15603 9.63281 7.34372 numMergedOcc 0
63 mol 212 unq 8 iso 1 dist 8.062 11.009 6.29767 4.18086 7.15603 9.63281 10.4595 8.69988 12.8059 7.34372 numMergedOcc 0
64 mol 212 unq 8 iso 0 dist 8.062 11.009 6.29767 14.0193 8.55903 10.7914 4.18086 7.15603 9.63281 10.7093 numMergedOcc 0
65 mol 212 unq 8 iso 1 dist 8.062 11.009 6.29767 4.18086 7.15603 9.63281 14.0193 8.55903 10.7914 10.7093 numMergedOcc 0
66 mol 212 unq 9 iso 0 dist 8.062 12.2246 8.74585 4.69067 9.74144 15.1535 10.4595 8.69988 4.21442 12.5482 numMergedOcc 0
67 mol 212 unq 9 iso 1 dist 8.062 12.2246 8.74585 10.4595 8.69988 4.21442 4.69067 9.74144 15.1535 12.5482 numMergedOcc 0
68 mol 212 unq 10 iso 0 dist 8.062 12.2246 8.74585 4.69067 9.74144 15.1535 14.0193 8.55903 6.69225 15.0034 numMergedOcc 0
69 mol 212 unq 10 iso 1 dist 8.062 12.2246 8.74585 14.0193 8.55903 6.69225 4.69067 9.74144 15.1535 15.0034 numMergedOcc 0
70 mol 212 unq 11 iso 0 dist 8.062 12.2246 8.74585 4.69067 9.74144 15.1535 4.18086 7.15603 10.1399 5.24023 numMergedOcc 0
71 mol 212 unq 11 iso 1 dist 8.062 12.2246 8.74585 4.18086 7.15603 10.1399 4.69067 9.74144 15.1535 5.24023 numMergedOcc 0
72 mol 212 unq 10 iso 0 dist 8.062 12.2246 8.74585 10.4595 8.69988 4.21442 14.0193 8.55903 6.69225 6.18191 numMergedOcc 0
73 mol 212 unq 10 iso 1 dist 8.062 12.2246 8.74585 14.0193 8.55903 6.69225 10.4595 8.69988 4.21442 6.18191 numMergedOcc 0
74 mol 212 unq 11 iso 0 dist 8.062 12.2246 8.74585 10.4595 8.69988 4.21442 4.18086 7.15603 10.1399 7.34372 numMergedOcc 0
75 mol 212 unq 11 iso 1 dist 8.062 12.2246 8.74585 4.18086 7.15603 10.1399 10.4595 8.69988 4.21442 7.34372 numMergedOcc 0
76 mol 212 unq 11 iso 0 dist 8.062 12.2246 8.74585 14.0193 8.55903 6.69225 4.18086 7.15603 10.1399 10.7093 numMergedOcc 0
77 mol 212 unq 11 iso 1 dist 8.062 12.2246 8.74585 4.18086 7.15603 10.1399 14.0193 8.55903 6.69225 10.7093 numMergedOcc 0
78 mol 212 unq 12 iso 0 dist 8.70011 8.66123 6.29767 5.37854 9.74144 9.75095 8.87823 8.69988 12.8059 12.5482 numMergedOcc 0
79 mol 212 unq 12 iso 1 dist 8.70011 8.66123 6.29767 8.87823 8.69988 12.8059 5.37854 9.74144 9.75095 12.5482 numMergedOcc 0
80 mol 212 unq 13 iso 0 dist 8.70011 8.66123 6.29767 5.37854 9.74144 9.75095 10.7245 8.55903 10.7914 15.0034 numMergedOcc 0
81 mol 212 unq 13 iso 1 dist 8.70011 8.66123 6.29767 10.7245 8.55903 10.7914 5.37854 9.74144 9.75095 15.0034 numMergedOcc 0
82 mol 212 unq 14 iso 0 dist 8.70011 8.66123 6.29767 5.37854 9.74144 9.75095 3.74692 7.15603 9.63281 5.24023 numMergedOcc 0
83 mol 212 unq 14 iso 1 dist 8.70011 8.66123 6.29767 3.74692 7.15603 9.63281 5.37854 9.74144 9.75095 5.24023 numMergedOcc 0
84 mol 212 unq 13 iso 0 dist 8.70011 8.66123 6.29767 8.87823 8.69988 12.8059 10.7245 8.55903 10.7914 6.18191 numMergedOcc 0
85 mol 212 unq 13 iso 1 dist 8.70011 8.66123 6.29767 10.7245 8.55903 10.7914 8.87823 8.69988 12.8059 6.18191 numMergedOcc 0
86 mol 212 unq 14 iso 0 dist 8.70011 8.66123 6.29767 8.87823 8.69988 12.8059 3.74692 7.15603 9.63281 7.34372 numMergedOcc 0
87 mol 212 unq 14 iso 1 dist 8.70011 8.66123 6.29767 3.74692 7.15603 9.63281 8.87823 8.69988 12.8059 7.34372 numMergedOcc 0
88 mol 212 unq 14 iso 0 dist 8.70011 8.66123 6.29767 10.7245 8.55903 10.7914 3.74692 7.15603 9.63281 10.7093 numMergedOcc 0
89 mol 212 unq 14 iso 1 dist 8.70011 8.66123 6.29767 3.74692 7.15603 9.63281 10.7245 8.55903 10.7914 10.7093 numMergedOcc 0
90 mol 212 unq 15 iso 0 dist 8.70011 12.2545 8.74585 5.37854 9.74144 15.1535 8.87823 8.69988 4.21442 12.5482 numMergedOcc 0
91 mol 212 unq 15 iso 1 dist 8.70011 12.2545 8.74585 8.87823 8.69988 4.21442 5.37854 9.74144 15.1535 12.5482 numMergedOcc 0
92 mol 212 unq 16 iso 0 dist 8.70011 12.2545 8.74585 5.37854 9.74144 15.1535 10.7245 8.55903 6.69225 15.0034 numMergedOcc 0
93 mol 212 unq 16 iso 1 dist 8.70011 12.2545 8.74585 10.7245 8.55903 6.69225 5.37854 9.74144 15.1535 15.0034 numMergedOcc 0
94 mol 212 unq 17 iso 0 dist 8.70011 12.2545 8.74585 5.37854 9.74144 15.1535 3.74692 7.15603 10.1399 5.24023 numMergedOcc 0
95 mol 212 unq 17 iso 1 dist 8.70011 12.2545 8.74585 3.74692 7.15603 10.1399 5.37854 9.74144 15.1535 5.24023 numMergedOcc 0
96 mol 212 unq 16 iso 0 dist 8.70011 12.2545 8.74585 8.87823 8.69988 4.21442 10.7245 8.55903 6.69225 6.18191 numMergedOcc 0
97 mol 212 unq 16 iso 1 dist 8.70011 12.2545 8.74585 10.7245 8.55903 6.69225 8.87823 8.69988 4.21442 6.18191 numMergedOcc 0
98 mol 212 unq 17 iso 0 dist 8.70011 12.2545 8.74585 8.87823 8.69988 4.21442 3.74692 7.15603 10.1399 7.34372 numMergedOcc 0
99 mol 212 unq 17 iso 1 dist 8.70011 12.2545 8.74585 3.74692 7.15603 10.1399 8.87823 8.69988 4.21442 7.34372 numMergedOcc 0
100 mol 212 unq 17 iso 0 dist 8.70011 12.2545 8.74585 10.7245 8.55903 6.69225 3.74692 7.15603 10.1399 10.7093 numMergedOcc 0
101 mol 212 unq 17 iso 1 dist 8.70011 12.2545 8.74585 3.74692 7.15603 10.1399 10.7245 8.55903 6.69225 10.7093 numMergedOcc 0
102 mol 234 unq 0 iso 0 dist 7.46434 11.2204 9.007 6.06471 6.30154 7.82953 11.1213 7.32499 5.76537 10.0708 numMergedOcc 0
103 mol 234 unq 0 iso 1 dist 7.46434 11.2204 9.007 11.1213 7.32499 5.76537 6.06471 6.30154 7.82953 10.0708 numMergedOcc 0
104 mol 234 unq 1 iso 0 dist 7.50424 11.6788 9.007 11.2248 6.30154 7.82953 10.6488 7.32499 5.76537 10.0708 numMergedOcc 0
105 mol 234 unq 1 iso 1 dist 7.50424 11.6788 9.007 10.6488 7.32499 5.76537 11.2248 6.30154 7.82953 10.0708 numMergedOcc 0
