0 mol 0 unq 0 iso 0 dist 9.42137 5.66453 6.26831 8.60656 7.40865 5.73813 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.8603 13.8384 5.72491 15.8072 8.72114 10.1959 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 5.51421 10.3237 7.88043 4.60206 5.99972 7.25346 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 5.51421 13 8.80762 4.60206 5.99972 10.0658 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 7.46102 12.3138 7.3915 10.4489 8.53529 5.65816 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 8.46229 7.36079 7.05346 9.93406 7.32257 8.88528 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.11056 5.36722 6.72502 11.095 8.60554 6.99746 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.11056 5.36722 6.72502 4.04757 8.44664 7.6844 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.11056 5.36722 6.72502 6.66757 9.44691 7.05541 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 8.40051 13.0772 6.90155 4.32173 6.16347 11.0508 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 8.40051 13.0772 6.90155 15.9662 7.92503 6.61233 numMergedOcc 0
11 mol 25 unq 2 iso 0 dist 8.6396 13.3963 6.6492 4.32173 7.45383 11.7817 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 8.6396 13.3963 6.6492 16.0077 9.01548 9.12941 numMergedOcc 0
13 mol 44 unq 0 iso 0 dist 9.96265 8.17152 7.52117 12.8967 9.6782 5.1728 numMergedOcc 0
14 mol 44 unq 1 iso 0 dist 9.70459 10.0357 7.52117 13.4256 9.6782 5.1728 numMergedOcc 0
15 mol 44 unq 2 iso 0 dist 7.78905 7.37043 7.52117 9.64095 9.6782 5.1728 numMergedOcc 0
16 mol 44 unq 3 iso 0 dist 9.44909 6.36853 7.52117 4.83412 9.6782 5.1728 numMergedOcc 0
17 mol 56 unq 0 iso 0 dist 7.20538 9.91757 6.77886 3.63144 7.16773 8.25666 numMergedOcc 0
18 mol 65 unq 0 iso 0 dist 8.76461 9.11969 9.14931 6.59475 6.72639 9.35965 numMergedOcc 0
19 mol 65 unq 1 iso 0 dist 8.76461 9.11969 9.14931 11.8419 9.34791 10.7772 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 8.06168 9.33688 5.16364 4.53047 6.02816 9.03289 numMergedOcc 0
21 mol 73 unq 1 iso 0 dist 8.67532 13.4716 5.16364 7.05537 6.02816 9.03289 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 6.58793 4.81974 7.33422 3.88757 7.54568 6.85215 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 7.5819 7.07175 8.65802 4.00923 7.52354 5.8102 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.9747 8.89866 7.26086 7.43001 6.65501 11.2092 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 4.50572 7.87523 7.26086 9.5305 6.65501 11.2092 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 8.3164 10.9842 5.34214 4.81814 7.80523 10.8469 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 6.40546 6.00304 6.98934 5.73999 8.99399 8.28905 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 6.40546 6.64646 7.99623 5.73999 8.99399 4.99495 numMergedOcc 0
29 mol 119 unq 2 iso 0 dist 8.44385 9.79485 7.99857 4.01593 9.11344 6.96805 numMergedOcc 0
30 mol 119 unq 3 iso 0 dist 5.63005 9.79485 8.56342 4.01593 6.52773 6.96805 numMergedOcc 0
31 mol 119 unq 4 iso 0 dist 5.63005 9.79485 8.56342 13.1254 9.23858 13.3975 numMergedOcc 0
32 mol 119 unq 5 iso 0 dist 5.63005 6.81112 6.37542 4.01593 6.52773 4.86811 numMergedOcc 0
33 mol 119 unq 6 iso 0 dist 5.63005 6.81112 6.37542 13.1254 9.23858 8.00229 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 7.81337 6.99491 9.29384 4.34786 8.70296 10.8127 numMergedOcc 0
35 mol 131 unq 1 iso 0 dist 7.81337 6.99491 9.29384 11.6607 9.25558 11.2516 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 8.30654 6.29937 8.41611 11.6678 7.78652 15.0801 numMergedOcc 0
37 mol 143 unq 1 iso 0 dist 8.30654 6.29937 8.41611 11.347 8.91301 15.0315 numMergedOcc 0
38 mol 143 unq 2 iso 0 dist 8.30654 6.49958 7.63338 11.6678 7.78652 11.5146 numMergedOcc 0
39 mol 143 unq 3 iso 0 dist 8.30654 6.49958 7.63338 11.347 8.91301 13.434 numMergedOcc 0
40 mol 143 unq 4 iso 0 dist 8.30654 6.80782 9.03707 11.6678 7.78652 8.97873 numMergedOcc 0
41 mol 143 unq 5 iso 0 dist 8.30654 6.80782 9.03707 11.347 8.91301 6.29542 numMergedOcc 0
42 mol 143 unq 6 iso 0 dist 8.30654 5.82537 7.25673 11.6678 7.78652 6.60479 numMergedOcc 0
43 mol 143 unq 7 iso 0 dist 8.30654 5.82537 7.25673 11.347 8.91301 7.54337 numMergedOcc 0
44 mol 159 unq 0 iso 0 dist 7.97007 6.23157 7.25742 4.49716 9.17787 10.3427 numMergedOcc 0
45 mol 159 unq 1 iso 0 dist 7.97007 6.23157 7.25742 6.69743 8.4858 7.97232 numMergedOcc 0
46 mol 162 unq 0 iso 0 dist 8.25167 5.49559 8.00506 4.13881 6.45896 4.56165 numMergedOcc 0
47 mol 163 unq 0 iso 0 dist 9.63873 4.9482 8.38738 6.09134 9.07943 8.55624 numMergedOcc 0
48 mol 180 unq 0 iso 0 dist 9.88732 12.4792 9.18528 10.6052 5.85827 4.02573 numMergedOcc 0
49 mol 180 unq 1 iso 0 dist 5.77949 8.4927 9.18528 5.62869 5.85827 4.02573 numMergedOcc 0
50 mol 180 unq 2 iso 0 dist 8.68403 11.4009 9.18528 8.39191 5.85827 4.02573 numMergedOcc 0
51 mol 180 unq 3 iso 0 dist 5.80441 5.05257 9.18528 4.11186 5.85827 4.02573 numMergedOcc 0
52 mol 192 unq 0 iso 0 dist 9.90531 7.32981 7.24199 11.0516 8.77999 3.86183 numMergedOcc 0
53 mol 195 unq 0 iso 0 dist 7.63036 6.90444 6.60567 7.14066 7.36683 6.0634 numMergedOcc 0
54 mol 195 unq 1 iso 0 dist 7.63036 6.90444 6.60567 4.58275 6.95086 6.74112 numMergedOcc 0
55 mol 212 unq 0 iso 0 dist 5.87223 6.8255 6.29767 9.39384 9.74144 9.75095 numMergedOcc 0
56 mol 212 unq 1 iso 0 dist 5.87223 6.8255 6.29767 6.48939 8.69988 12.8059 numMergedOcc 0
57 mol 212 unq 2 iso 0 dist 5.87223 6.8255 6.29767 5.81626 8.55903 10.7914 numMergedOcc 0
58 mol 212 unq 3 iso 0 dist 5.87223 6.8255 6.29767 5.94698 7.15603 9.63281 numMergedOcc 0
59 mol 212 unq 4 iso 0 dist 5.87223 8.90296 8.74585 9.39384 9.74144 15.1535 numMergedOcc 0
60 mol 212 unq 5 iso 0 dist 5.87223 8.90296 8.74585 6.48939 8.69988 4.21442 numMergedOcc 0
61 mol 212 unq 6 iso 0 dist 5.87223 8.90296 8.74585 5.81626 8.55903 6.69225 numMergedOcc 0
62 mol 212 unq 7 iso 0 dist 5.87223 8.90296 8.74585 5.94698 7.15603 10.1399 numMergedOcc 0
63 mol 212 unq 8 iso 0 dist 8.062 11.009 6.29767 4.69067 9.74144 9.75095 numMergedOcc 0
64 mol 212 unq 9 iso 0 dist 8.062 11.009 6.29767 10.4595 8.69988 12.8059 numMergedOcc 0
65 mol 212 unq 10 iso 0 dist 8.062 11.009 6.29767 14.0193 8.55903 10.7914 numMergedOcc 0
66 mol 212 unq 11 iso 0 dist 8.062 11.009 6.29767 4.18086 7.15603 9.63281 numMergedOcc 0
67 mol 212 unq 12 iso 0 dist 8.062 12.2246 8.74585 4.69067 9.74144 15.1535 numMergedOcc 0
68 mol 212 unq 13 iso 0 dist 8.062 12.2246 8.74585 10.4595 8.69988 4.21442 numMergedOcc 0
69 mol 212 unq 14 iso 0 dist 8.062 12.2246 8.74585 14.0193 8.55903 6.69225 numMergedOcc 0
70 mol 212 unq 15 iso 0 dist 8.062 12.2246 8.74585 4.18086 7.15603 10.1399 numMergedOcc 0
71 mol 212 unq 16 iso 0 dist 8.70011 8.66123 6.29767 5.37854 9.74144 9.75095 numMergedOcc 0
72 mol 212 unq 17 iso 0 dist 8.70011 8.66123 6.29767 8.87823 8.69988 12.8059 numMergedOcc 0
73 mol 212 unq 18 iso 0 dist 8.70011 8.66123 6.29767 10.7245 8.55903 10.7914 numMergedOcc 0
74 mol 212 unq 19 iso 0 dist 8.70011 8.66123 6.29767 3.74692 7.15603 9.63281 numMergedOcc 0
75 mol 212 unq 20 iso 0 dist 8.70011 12.2545 8.74585 5.37854 9.74144 15.1535 numMergedOcc 0
76 mol 212 unq 21 iso 0 dist 8.70011 12.2545 8.74585 8.87823 8.69988 4.21442 numMergedOcc 0
77 mol 212 unq 22 iso 0 dist 8.70011 12.2545 8.74585 10.7245 8.55903 6.69225 numMergedOcc 0
78 mol 212 unq 23 iso 0 dist 8.70011 12.2545 8.74585 3.74692 7.15603 10.1399 numMergedOcc 0
79 mol 234 unq 0 iso 0 dist 7.46434 11.2204 9.007 6.06471 6.30154 7.82953 numMergedOcc 0
80 mol 234 unq 1 iso 0 dist 7.46434 11.2204 9.007 11.1213 7.32499 5.76537 numMergedOcc 0
81 mol 234 unq 2 iso 0 dist 7.50424 11.6788 9.007 11.2248 6.30154 7.82953 numMergedOcc 0
82 mol 234 unq 3 iso 0 dist 7.50424 11.6788 9.007 10.6488 7.32499 5.76537 numMergedOcc 0
83 mol 258 unq 0 iso 0 dist 9.59174 5.79227 9.1925 5.32742 9.63959 4.22544 numMergedOcc 0
84 mol 259 unq 0 iso 0 dist 9.54857 12.7168 8.55558 8.74892 7.08526 6.31909 numMergedOcc 0
