0 mol 17 unq 0 iso 0 dist 7.96836 8.48453 13.5023 5.21083 7.34681 6.53817 12.1881 9.4204 11.7814 9.26685 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.96836 8.80499 15.703 5.21083 7.34681 9.81769 12.1881 9.4204 14.8418 9.26685 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 8.49309 8.48453 16.6172 5.21083 12.5763 6.53817 12.1881 19.1017 11.7814 9.26685 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 8.49309 8.80499 16.0163 5.21083 12.5763 9.81769 12.1881 19.1017 14.8418 9.26685 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 9.50568 7.06199 4.38082 10.2834 5.52834 8.52254 13.2867 5.21506 6.73507 8.84148 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.90164 6.6606 6.96386 9.1401 13.7749 7.14865 12.8442 16.1043 9.51008 7.19203 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 9.93751 7.65229 6.29923 11.4776 9.42014 5.81552 13.0796 5.44978 9.60908 9.42175 numMergedOcc 0
7 mol 167 unq 0 iso 0 dist 6.26373 4.93984 4.70374 4.72853 7.20545 8.58946 12.6803 9.97915 13.1346 9.82329 numMergedOcc 0
8 mol 167 unq 1 iso 0 dist 8.94308 4.93984 6.05722 4.72853 12.2548 8.58946 12.6803 14.749 13.1346 9.82329 numMergedOcc 0
9 mol 167 unq 2 iso 0 dist 9.74227 4.93984 8.90206 4.72853 12.8904 8.58946 12.6803 16.5377 13.1346 9.82329 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.88463 7.04318 6.01639 8.21784 11.553 6.73365 7.01007 4.73739 6.15969 8.6609 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 8.88463 7.04318 6.01639 8.21784 11.553 6.73365 10.6965 8.37453 5.50014 6.21546 numMergedOcc 0
12 mol 175 unq 2 iso 0 dist 8.88463 7.04318 6.01639 8.21784 11.553 6.73365 12.0647 12.9861 7.28617 6.03184 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 7.21606 6.96824 5.32364 13.2658 9.40718 9.63295 10.7353 5.15002 5.16386 6.47689 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.9479 7.96424 17.1899 4.36623 10.7459 7.30244 7.03223 9.51851 10.48 7.35148 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 9.9479 5.40366 12.7759 4.36623 10.7459 7.29796 7.03223 9.51851 5.23846 7.35148 numMergedOcc 0
16 mol 276 unq 0 iso 0 dist 8.63212 6.24808 9.50779 7.74891 11.7609 8.95876 16.2114 18.7744 13.702 9.68846 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 8.12646 8.27977 8.00087 8.89193 11.5899 5.17586 8.85653 11.304 6.03718 8.57035 numMergedOcc 0
