0 mol 21 unq 0 iso 0 dist 9.50179 8.6232 5.89271 5.92388 4.56848 3.36756 6.43942 12.2492 11.2883 9.08579 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 6.72231 8.6232 5.10048 5.92388 4.71732 3.36756 6.43942 11.9898 11.2883 9.08579 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 8.63446 3.78122 6.65219 10.1695 11.5403 14.136 9.47481 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 9.07294 5.79195 5.35551 9.35049 3.75786 4.63862 7.72261 9.09263 6.00667 6.30568 numMergedOcc 0
4 mol 165 unq 0 iso 0 dist 9.59989 6.85551 9.94274 5.93144 11.7431 11.5982 9.78341 16.6865 14.9361 5.03758 numMergedOcc 0
5 mol 244 unq 0 iso 0 dist 6.51428 7.43391 4.69664 9.3491 12.2668 9.14405 6.33602 10.9137 9.59814 9.32492 numMergedOcc 0
6 mol 244 unq 1 iso 0 dist 6.51428 7.79787 13.4155 9.3491 12.2668 6.88123 6.33602 10.9137 8.92083 9.32492 numMergedOcc 0
7 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 6.62413 7.19269 4.49386 13.364 11.8673 12.319 9.38713 numMergedOcc 0
8 mol 249 unq 1 iso 0 dist 7.58833 8.00386 10.9665 6.62413 7.19269 5.33399 13.364 11.8673 14.1978 9.38713 numMergedOcc 0
9 mol 249 unq 2 iso 0 dist 9.04715 3.67935 5.75331 6.62413 4.77145 4.49386 13.364 13.0217 12.319 9.38713 numMergedOcc 0
10 mol 249 unq 3 iso 0 dist 9.04715 8.00386 5.52082 6.62413 4.77145 5.33399 13.364 13.0217 14.1978 9.38713 numMergedOcc 0
11 mol 258 unq 0 iso 0 dist 8.97411 8.58092 13.2474 5.94328 8.9947 5.05766 5.52381 14.3981 9.12231 9.33223 numMergedOcc 0
12 mol 287 unq 0 iso 0 dist 8.0935 6.96774 10.4601 9.31611 14.6969 5.03775 4.38561 11.4025 8.05825 9.7875 numMergedOcc 0
13 mol 287 unq 1 iso 0 dist 8.0935 7.14859 8.13485 9.31611 14.6969 8.95194 4.38561 11.4025 11.0609 9.7875 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 8.0935 6.96774 10.4601 9.31611 14.6969 5.03775 4.38561 11.4025 8.05825 9.7875 numMergedOcc 0
15 mol 288 unq 1 iso 0 dist 8.0935 7.14859 8.13485 9.31611 14.6969 8.95194 4.38561 11.4025 11.0609 9.7875 numMergedOcc 0
16 mol 289 unq 0 iso 0 dist 8.0935 6.96774 10.4601 9.31611 14.6969 5.03775 4.38561 11.4025 8.05825 9.7875 numMergedOcc 0
17 mol 289 unq 1 iso 0 dist 8.0935 7.14859 8.13485 9.31611 14.6969 8.95194 4.38561 11.4025 11.0609 9.7875 numMergedOcc 0
