0 mol 43 unq 0 iso 0 dist 8.84944 11.3412 7.67459 14.9082 8.03754 9.69698 22.5146 14.0204 15.7652 8.80331 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.84944 11.3412 7.67459 14.9082 8.03754 9.69698 19.6842 13.1056 15.8918 6.20293 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 7.21995 5.88097 7.67459 4.80528 8.03754 9.69698 12.8866 14.0204 15.7652 8.80331 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 7.21995 5.88097 7.67459 4.80528 8.03754 9.69698 10.6604 13.1056 15.8918 6.20293 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.52643 7.59945 5.45684 15.4665 8.75668 11.6779 15.3102 7.26966 11.8671 9.67592 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.52643 13.3239 7.76644 15.4665 8.75668 10.1207 15.3102 7.26966 10.9973 9.67592 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 5.41357 5.65551 5.45684 9.95527 8.75668 11.6779 12.3873 7.26966 11.8671 9.67592 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 5.41357 9.81422 7.76644 9.95527 8.75668 10.1207 12.3873 7.26966 10.9973 9.67592 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 4.76466 7.91223 7.93145 5.56574 6.96759 9.14798 13.0751 13.8905 16.1633 7.79912 numMergedOcc 0
9 mol 75 unq 1 iso 0 dist 4.76466 7.91223 7.93145 5.56574 6.96759 9.14798 12.1692 12.899 17.6145 8.56639 numMergedOcc 0
10 mol 75 unq 2 iso 0 dist 4.76466 7.91223 7.93145 5.56574 6.96759 9.14798 10.0315 8.41332 15.3522 8.59017 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 9.61101 6.64929 7.26325 6.29782 6.42706 6.65856 10.514 5.12351 6.23966 5.83384 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.8353 7.82218 5.92836 17.2988 9.47554 14.5299 10.614 5.34829 10.1767 7.11802 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.8353 7.82218 5.92836 17.2988 9.47554 14.5299 15.7117 9.67676 11.6202 8.00618 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.65031 12.1354 9.27341 14.069 8.41774 9.50073 21.5408 13.1435 15.3848 8.56324 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 9.65031 12.1354 9.27341 14.069 8.41774 9.50073 19.3797 13.793 16.0753 6.70283 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 9.65031 12.1354 9.27341 14.069 8.41774 9.50073 15.7694 11.2124 16.0158 7.16148 numMergedOcc 0
17 mol 152 unq 3 iso 0 dist 8.51844 6.67687 9.27341 4.46956 8.41774 9.50073 12.7437 13.1435 15.3848 8.56324 numMergedOcc 0
18 mol 152 unq 4 iso 0 dist 8.51844 6.67687 9.27341 4.46956 8.41774 9.50073 10.5594 13.793 16.0753 6.70283 numMergedOcc 0
19 mol 152 unq 5 iso 0 dist 8.51844 6.67687 9.27341 4.46956 8.41774 9.50073 10.166 11.2124 16.0158 7.16148 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 9.52029 13.8486 9.23669 18.5654 9.44947 15.0515 16.9329 10.5243 18.9597 7.10633 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 9.52029 13.8486 9.23669 18.5654 9.44947 15.0515 17.8571 10.2677 15.8109 8.51516 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 5.25149 8.17619 9.57625 6.19375 5.39218 13.0808 15.0279 13.3213 20.4393 9.23153 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 5.25149 8.17619 9.57625 6.19375 5.39218 13.0808 13.2107 11.4842 20.5878 8.24498 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 6.23677 8.8161 8.96263 6.87755 7.49783 11.9904 12.2287 12.8561 10.9817 8.95269 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 9.04741 9.46987 8.96263 12.3271 7.49783 11.9904 16.6527 12.8561 10.9817 8.95269 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 7.31608 3.92881 8.96263 11.0252 7.49783 11.9904 12.7763 12.8561 10.9817 8.95269 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 8.10903 5.79358 8.73425 9.78068 9.04358 5.13233 14.0712 8.81588 10.7821 6.60405 numMergedOcc 0
28 mol 258 unq 1 iso 0 dist 8.10903 5.79358 8.73425 9.78068 9.04358 5.13233 8.81059 5.90131 8.21585 6.42289 numMergedOcc 0
29 mol 280 unq 0 iso 0 dist 4.45141 5.846 6.38295 6.07005 5.41639 8.30978 10.6192 8.26589 8.80588 6.53701 numMergedOcc 0
30 mol 280 unq 1 iso 0 dist 4.45141 5.846 6.38295 7.38048 7.96485 5.80223 10.6192 8.26589 8.80588 6.0664 numMergedOcc 0
