0 mol 34 unq 0 iso 0 dist 9.18109 5.66535 6.87871 7.36836 15.1968 9.99939 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 9.94799 15.3073 9.23576 16.3808 7.10133 8.83233 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.10386 15.7901 9.68526 10.869 8.0072 6.23522 numMergedOcc 0
3 mol 101 unq 0 iso 0 dist 5.5199 4.50603 8.77773 10.7133 9.58969 9.23765 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 8.07962 8.58092 9.01767 11.4052 8.94532 5.54256 numMergedOcc 0
5 mol 102 unq 1 iso 0 dist 9.54857 8.58092 9.80678 11.4052 6.94341 5.54256 numMergedOcc 0
6 mol 102 unq 2 iso 0 dist 7.58908 12.5781 9.01767 13.6759 8.94532 5.54256 numMergedOcc 0
7 mol 102 unq 3 iso 0 dist 9.32058 12.5781 9.80678 13.6759 6.94341 5.54256 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 6.70591 6.39786 5.25492 13.3512 7.32685 9.10911 numMergedOcc 0
9 mol 110 unq 1 iso 0 dist 5.43052 8.50777 5.25492 11.9096 7.32685 9.10911 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 5.28955 10.7421 9.93703 9.72764 8.99475 7.60162 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 8.63018 5.56946 6.29026 7.84813 6.14663 7.97548 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 8.63018 5.56946 6.29026 12.1544 5.32811 9.64164 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.85651 4.84607 8.84018 4.82356 3.75786 5.78814 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 7.03858 11.981 8.84018 8.83476 3.75786 5.78814 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 6.00651 6.91778 9.18866 8.76449 6.99467 6.73617 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 6.00651 6.91778 9.18866 8.36182 4.53687 9.03544 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 9.51731 6.46702 9.82249 9.067 3.57652 7.93088 numMergedOcc 0
18 mol 180 unq 0 iso 0 dist 5.43774 6.54937 8.44989 7.58661 6.15473 9.63576 numMergedOcc 0
19 mol 180 unq 1 iso 0 dist 8.31061 6.91082 8.44989 5.81023 6.15473 9.63576 numMergedOcc 0
20 mol 183 unq 0 iso 0 dist 9.92635 10.0008 7.31181 7.16035 10.7786 9.96536 numMergedOcc 0
21 mol 183 unq 1 iso 0 dist 7.85507 9.95614 7.31181 9.61725 10.7786 9.96536 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.09754 4.78067 8.43584 13.0087 14.8213 9.31158 numMergedOcc 0
23 mol 212 unq 0 iso 0 dist 9.66798 8.60368 9.53824 12.1617 4.33509 9.99698 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 5.01229 4.67262 4.58599 12.6749 10.5963 9.09354 numMergedOcc 0
25 mol 213 unq 1 iso 0 dist 5.01229 4.67262 4.58599 7.49754 5.36904 4.66576 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 6.11539 5.70808 8.68464 8.54126 3.79439 8.60731 numMergedOcc 0
27 mol 232 unq 1 iso 0 dist 9.71082 4.86949 8.68464 7.64079 3.79439 8.60731 numMergedOcc 0
28 mol 257 unq 0 iso 0 dist 8.43067 5.8531 5.36776 12.9111 12.8843 9.6834 numMergedOcc 0
29 mol 257 unq 1 iso 0 dist 7.6127 5.98419 5.36776 15.4361 12.8843 9.6834 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 9.4886 11.9201 5.81927 14.3502 4.87461 7.12221 numMergedOcc 0
31 mol 258 unq 1 iso 0 dist 9.4886 11.9201 5.81927 17.2662 9.93118 5.4557 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 8.03655 7.602 8.1498 11.0436 8.3919 9.28128 numMergedOcc 0
33 mol 265 unq 1 iso 0 dist 6.98812 5.58514 9.59213 12.6665 13.876 8.54108 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 7.62562 15.8929 9.02749 18.1477 12.2201 8.12739 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 7.62562 15.8929 9.02749 19.5274 12.2802 6.09853 numMergedOcc 0
36 mol 283 unq 0 iso 0 dist 7.90132 4.44211 9.53225 9.35302 7.27864 9.07995 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 5.27236 5.57606 6.47832 7.48987 4.99494 7.56669 numMergedOcc 0
