0 mol 34 unq 0 iso 0 dist 7.36836 5.66535 9.99939 9.18109 15.1968 6.87871 5.80438 12.9209 8.04976 6.40741 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 7.36836 5.66535 9.99939 9.18109 15.1968 6.87871 4.49056 10.006 9.01679 9.31366 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.4515 3.97569 6.23522 13.635 9.61302 9.72442 12.6054 14.7637 10.1488 9.53327 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 5.04673 4.73713 5.42067 8.6716 3.68007 7.86724 12.841 9.68537 9.52327 8.66742 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.42225 15.0071 7.60162 16.0778 8.99475 9.93703 12.2067 6.21165 7.45148 6.13508 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 4.82356 4.84607 5.78814 6.85651 3.75786 8.84018 14.4497 12.4466 17.168 8.70392 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.83476 11.981 5.78814 7.03858 3.75786 8.84018 9.26708 12.4466 17.168 8.70392 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 8.76449 6.91778 6.73617 6.00651 6.99467 9.18866 7.38323 9.59327 8.93262 5.08863 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 8.36182 6.91778 9.03544 6.00651 4.53687 9.18866 7.38323 8.51399 8.93262 5.08863 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 9.067 6.46702 7.93088 9.51731 3.57652 9.82249 7.15755 5.67088 4.20425 8.62413 numMergedOcc 0
10 mol 183 unq 0 iso 0 dist 7.16035 10.0008 9.96536 9.92635 10.7786 7.31181 8.96895 12.6071 6.59099 5.5781 numMergedOcc 0
11 mol 183 unq 1 iso 0 dist 9.61725 9.95614 9.96536 7.85507 10.7786 7.31181 6.57004 12.6071 6.59099 5.5781 numMergedOcc 0
12 mol 183 unq 2 iso 0 dist 9.01531 9.81623 9.96536 15.2398 10.7786 7.31181 13.8763 12.6071 6.59099 5.5781 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 10.7582 14.8213 8.43584 14.0896 19.8707 11.6232 6.05667 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 5.66636 6.8901 9.31158 13.5379 14.8213 8.43584 17.7291 19.8707 11.6232 6.05667 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 9.25184 3.84723 6.85824 9.97171 8.81074 9.67457 18.5847 16.3871 18.0887 8.87054 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 8.54126 5.70808 8.60731 6.11539 3.79439 8.68464 9.74489 9.89191 14.3553 6.67239 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 8.54126 5.70808 8.60731 6.11539 3.79439 8.68464 6.70882 9.83281 11.776 6.23146 numMergedOcc 0
18 mol 232 unq 2 iso 0 dist 7.64079 4.86949 8.60731 9.71082 3.79439 8.68464 16.2642 9.89191 14.3553 6.67239 numMergedOcc 0
19 mol 232 unq 3 iso 0 dist 7.64079 4.86949 8.60731 9.71082 3.79439 8.68464 14.3107 9.83281 11.776 6.23146 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 5.28731 4.16039 5.03601 12.3495 10.6606 8.71213 14.4966 13.427 10.4903 8.7964 numMergedOcc 0
21 mol 285 unq 1 iso 0 dist 5.28731 4.16039 5.03601 12.3495 10.6606 8.71213 15.1435 15.1725 11.2696 7.24072 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 7.48987 5.57606 7.56669 5.27236 4.99494 6.47832 7.33654 9.93413 5.42688 6.1268 numMergedOcc 0
