0 mol 11 unq 0 iso 0 dist 5.87616 4.37231 5.7435 6.5069 8.23032 9.99434 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.26381 6.74726 8.88413 4.32034 7.05148 5.30154 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.26381 6.61953 9.87281 4.32034 7.05148 5.64303 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.26381 5.18181 7.63928 4.32034 7.05148 5.82503 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 6.30807 6.67111 5.5814 4.38332 8.51496 8.32637 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.35101 7.71984 6.36193 4.7391 5.84625 9.95364 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 5.35101 4.67517 4.88613 4.7391 5.84625 5.49591 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 8.68381 12.5529 6.36193 4.35705 5.84625 9.95364 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 8.68381 8.47822 4.88613 4.35705 5.84625 5.49591 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 7.17678 5.08122 5.47319 6.26461 8.91502 5.83934 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 7.17678 9.69519 9.8809 6.26461 8.91502 14.3583 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 7.62621 14.5145 8.86252 5.75219 5.51406 9.13283 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.99121 6.8104 4.98864 10.6956 6.66022 5.22052 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 5.7232 8.76089 9.50322 8.11294 6.72323 12.538 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.7232 6.80087 5.82404 8.11294 6.72323 4.54648 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 5.92025 5.03598 6.11137 12.8555 8.37813 9.52712 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 5.92025 5.03598 6.11137 6.74257 9.25988 4.79879 numMergedOcc 0
17 mol 236 unq 2 iso 0 dist 5.92025 5.6375 7.89744 12.8555 8.37813 14.1812 numMergedOcc 0
18 mol 236 unq 3 iso 0 dist 5.92025 5.6375 7.89744 6.74257 9.25988 4.32284 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 7.00974 9.23493 7.65388 7.72205 5.79898 5.17744 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.62592 6.60345 5.73834 12.2121 8.63176 5.63675 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 5.76223 6.62955 9.64124 4.34945 6.68863 4.24885 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 5.76223 9.5588 9.30668 4.34945 6.68863 7.15683 numMergedOcc 0
