0 mol 6 unq 0 iso 0 dist 9.50612 6.88535 8.15992 7.32905 4.76488 9.39473 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 9.50612 12.4614 4.82562 7.32905 4.76488 5.80027 numMergedOcc 0
2 mol 6 unq 2 iso 0 dist 9.50612 10.2672 8.85796 7.32905 4.76488 5.60626 numMergedOcc 0
3 mol 6 unq 3 iso 0 dist 6.46784 10.5682 8.15992 6.13512 4.76488 9.39473 numMergedOcc 0
4 mol 6 unq 4 iso 0 dist 6.46784 6.96917 4.82562 6.13512 4.76488 5.80027 numMergedOcc 0
5 mol 6 unq 5 iso 0 dist 6.46784 11.7058 8.85796 6.13512 4.76488 5.60626 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 5.78231 8.7845 8.70331 6.00133 5.9972 7.9487 numMergedOcc 0
7 mol 32 unq 1 iso 0 dist 9.41538 11.8855 8.70331 5.43575 5.9972 7.9487 numMergedOcc 0
8 mol 37 unq 0 iso 0 dist 6.32052 4.2096 4.07334 10.3755 8.61124 11.0522 numMergedOcc 0
9 mol 37 unq 1 iso 0 dist 6.32052 4.2096 4.07334 6.11898 5.1625 5.60174 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 8.83919 8.03958 6.87036 6.07757 8.50375 5.59308 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 9.48328 4.99432 5.43913 4.65586 7.03832 4.16088 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 8.51839 5.30715 7.93498 5.13667 9.20861 7.99907 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 6.16745 7.90858 7.02693 11.4785 7.78587 5.14919 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.16745 12.4166 8.58248 11.4785 7.78587 15.124 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 8.63792 8.29882 5.91098 12.9327 8.90522 13.8036 numMergedOcc 0
16 mol 76 unq 1 iso 0 dist 8.63792 9.77859 4.86523 12.9327 8.90522 6.63393 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 6.56288 4.75717 7.51319 12.0467 5.61151 12.8729 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 6.56288 15.811 9.43839 12.0467 5.61151 3.97167 numMergedOcc 0
19 mol 85 unq 2 iso 0 dist 5.97559 12.9091 8.66427 12.0467 6.54289 10.6818 numMergedOcc 0
20 mol 85 unq 3 iso 0 dist 5.97559 12.9091 8.66427 11.8012 7.52869 6.24598 numMergedOcc 0
21 mol 85 unq 4 iso 0 dist 5.97559 12.9091 8.66427 12.0763 9.18945 12.0327 numMergedOcc 0
22 mol 85 unq 5 iso 0 dist 5.97559 4.75717 8.49887 12.0467 6.54289 12.8729 numMergedOcc 0
23 mol 85 unq 6 iso 0 dist 5.97559 4.75717 8.49887 11.8012 7.52869 14.5743 numMergedOcc 0
24 mol 85 unq 7 iso 0 dist 5.97559 4.75717 8.49887 12.0763 9.18945 13.0766 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 5.86693 8.04699 9.57243 4.41049 6.40751 6.55605 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.31268 5.98533 8.62485 9.28896 8.71877 13.2905 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 5.79883 5.28237 5.19729 7.2107 6.16848 6.50683 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 9.05879 9.12522 8.14743 10.9568 8.56867 9.3815 numMergedOcc 0
29 mol 264 unq 1 iso 0 dist 6.67548 5.14663 8.14743 6.08436 8.56867 9.3815 numMergedOcc 0
30 mol 264 unq 2 iso 0 dist 5.57579 5.14663 8.75943 6.08436 6.29872 9.3815 numMergedOcc 0
31 mol 266 unq 0 iso 0 dist 5.28746 5.36882 6.48382 8.1524 9.6721 12.9391 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 9.15937 10.377 9.25289 6.33111 3.93401 8.7383 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 9.15937 14.8361 9.29687 6.33111 3.93401 9.01459 numMergedOcc 0
