0 mol 20 unq 0 iso 0 dist 9.44151 8.71628 12.5816 6.81416 6.38533 6.31611 6.98731 14.0449 6.4934 8.72023 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.44151 8.71628 12.5816 6.81416 6.38533 6.31611 12.0498 18.6102 6.93199 12.7734 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 6.77833 8.06918 6.65811 4.67358 9.03317 11.6542 9.17087 10.1773 8.33704 9.31969 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 6.77833 8.06918 6.65811 4.67358 9.03317 11.6542 5.33532 9.65964 7.92394 6.54023 numMergedOcc 0
4 mol 70 unq 2 iso 0 dist 6.77833 7.52623 5.47516 4.67358 9.03317 11.7156 5.33532 9.65964 9.93423 6.54023 numMergedOcc 0
5 mol 70 unq 3 iso 0 dist 6.77833 5.62294 11.0952 4.67358 9.03317 4.95817 5.33532 9.65964 9.34122 6.54023 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 6.31237 6.64613 7.39788 7.63006 5.60279 5.64735 4.7907 10.9316 8.3586 10.5455 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 7.2443 8.94447 8.69934 9.05365 9.88829 16.7805 12.7099 15.0169 6.81812 21.6111 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 7.9895 9.4422 6.06723 6.6276 6.44546 7.04972 12.4033 13.0227 8.62646 13.8512 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 6.53913 9.4422 6.58937 6.6276 5.48292 7.04972 12.4033 9.87651 8.62646 13.8512 numMergedOcc 0
10 mol 189 unq 0 iso 0 dist 8.59972 5.79707 5.59904 9.5853 5.4905 4.34089 5.56399 10.4329 6.50241 8.56355 numMergedOcc 0
11 mol 209 unq 0 iso 0 dist 5.92907 5.20111 6.43758 9.95951 5.96694 9.89528 5.35615 7.56373 9.52027 12.6146 numMergedOcc 0
12 mol 209 unq 1 iso 0 dist 5.92907 5.20111 6.43758 6.43914 4.90038 9.02883 5.35615 7.56373 9.52027 8.41195 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 6.48196 7.99897 8.96098 7.07507 8.2372 11.0789 11.5105 15.159 9.43203 17.6186 numMergedOcc 0
14 mol 248 unq 0 iso 0 dist 7.40475 7.96942 10.1857 9.08064 5.99459 6.53154 7.63032 7.69895 8.50864 6.17052 numMergedOcc 0
15 mol 264 unq 0 iso 0 dist 9.07206 5.50677 14.073 9.91954 12.6928 13.2809 14.447 22.584 9.0012 20.2687 numMergedOcc 0
16 mol 264 unq 1 iso 0 dist 9.07206 8.75957 16.8934 9.91954 12.6928 10.9186 14.447 22.584 9.5784 20.2687 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 7.77765 7.86196 6.17102 5.78275 12.0308 8.73481 9.62211 8.15665 9.03492 12.1586 numMergedOcc 0
