0 mol 55 unq 0 iso 0 dist 9.24055 5.24742 5.25318 12.3514 9.34552 12.2917 7.38126 8.02261 6.7877 11.7927 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 9.66898 9.29433 5.25318 7.15478 9.34552 12.2917 10.7639 8.02261 6.7877 11.7927 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.52643 9.75299 4.78627 7.59945 5.45684 7.66372 15.4665 8.75668 12.8796 11.6779 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 8.52643 9.75299 4.78627 7.59945 5.45684 7.66372 9.48441 9.64871 13.3367 12.0048 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 8.52643 9.75299 4.78627 7.59945 5.45684 7.66372 4.76091 9.95118 12.2237 10.7116 numMergedOcc 0
5 mol 64 unq 3 iso 0 dist 8.52643 9.75299 4.78627 13.3239 7.76644 9.99743 15.4665 8.75668 12.8796 10.1207 numMergedOcc 0
6 mol 64 unq 4 iso 0 dist 8.52643 9.75299 4.78627 13.3239 7.76644 9.99743 9.48441 9.64871 13.3367 15.2828 numMergedOcc 0
7 mol 64 unq 5 iso 0 dist 8.52643 9.75299 4.78627 13.3239 7.76644 9.99743 4.76091 9.95118 12.2237 15.7534 numMergedOcc 0
8 mol 64 unq 6 iso 0 dist 5.41357 9.30042 4.78627 5.65551 5.45684 7.66372 9.95527 8.75668 12.8796 11.6779 numMergedOcc 0
9 mol 64 unq 7 iso 0 dist 5.41357 9.30042 4.78627 5.65551 5.45684 7.66372 6.41829 9.64871 13.3367 12.0048 numMergedOcc 0
10 mol 64 unq 8 iso 0 dist 5.41357 9.30042 4.78627 5.65551 5.45684 7.66372 6.13923 9.95118 12.2237 10.7116 numMergedOcc 0
11 mol 64 unq 9 iso 0 dist 5.41357 9.30042 4.78627 9.81422 7.76644 9.99743 9.95527 8.75668 12.8796 10.1207 numMergedOcc 0
12 mol 64 unq 10 iso 0 dist 5.41357 9.30042 4.78627 9.81422 7.76644 9.99743 6.41829 9.64871 13.3367 15.2828 numMergedOcc 0
13 mol 64 unq 11 iso 0 dist 5.41357 9.30042 4.78627 9.81422 7.76644 9.99743 6.13923 9.95118 12.2237 15.7534 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 7.48556 9.47045 8.96403 15.0455 8.08507 14.4663 7.52996 6.4104 12.0834 9.8979 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 7.48556 8.68218 7.99821 15.0455 8.08507 14.7716 7.52996 6.4104 12.7946 9.8979 numMergedOcc 0
16 mol 75 unq 0 iso 0 dist 4.76466 8.25597 4.41154 7.91223 7.93145 12.0932 5.56574 6.96759 9.20448 9.14798 numMergedOcc 0
17 mol 75 unq 1 iso 0 dist 4.76466 8.67172 5.23438 7.91223 7.93145 10.3439 5.56574 6.96759 6.97318 9.14798 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 5.25149 8.6368 11.0459 8.17619 9.57625 8.08702 6.19375 5.39218 14.3841 13.0808 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 7.31608 7.96226 5.19836 3.92881 8.96263 7.35677 11.0252 7.49783 10.6915 11.9904 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 9.01071 8.86185 15.9311 13.3781 7.449 20.3692 8.70119 6.29774 14.9529 5.56089 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 9.01071 8.86185 15.9311 13.3781 7.449 20.3692 10.1972 9.28258 18.3241 7.18168 numMergedOcc 0
22 mol 239 unq 2 iso 0 dist 9.01071 8.86185 15.9311 14.2324 8.98789 22.4527 8.70119 6.29774 14.9529 8.75635 numMergedOcc 0
23 mol 239 unq 3 iso 0 dist 9.01071 8.86185 15.9311 14.2324 8.98789 22.4527 10.1972 9.28258 18.3241 5.85469 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 4.64178 8.78924 4.56434 7.70076 8.1195 11.028 5.94295 9.35819 13.4735 5.74171 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 9.16988 7.70472 4.56434 16.6703 8.1195 11.028 16.7683 9.35819 13.4735 5.74171 numMergedOcc 0
26 mol 244 unq 0 iso 0 dist 7.79787 7.43391 12.5222 8.64762 6.2667 14.0376 10.5547 9.21656 17.8964 8.82711 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 8.10903 7.25618 5.31174 5.79358 8.73425 9.65711 9.78068 9.04358 10.0455 5.13233 numMergedOcc 0
