0 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 12.8366 5.41726 6.6263 17.6573 10.0168 10.8828 8.34145 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 12.8366 5.41726 6.75943 17.6573 10.0168 5.07458 8.34145 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 9.47348 9.92508 8.93915 15.6164 10.0383 6.75943 12.0162 10.9975 5.07458 8.34145 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.23812 7.80518 8.70481 10.4722 11.2069 5.5087 12.7789 15.0347 6.41115 8.46627 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.23812 7.80518 8.70481 12.7709 10.6713 6.08682 12.7789 15.0347 6.41115 9.22208 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.11695 9.54167 9.64443 10.9777 5.31547 9.36001 15.5702 12.8197 6.77937 9.99441 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 14.206 5.00433 8.52024 9.45977 7.07971 4.69373 9.09348 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 12.5457 6.63111 6.39384 6.27754 6.24825 6.95773 7.65564 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 12.5457 6.63111 9.42082 6.27754 6.24825 6.01673 7.65564 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 15.2447 12.3479 9.33094 14.2569 11.988 8.06642 8.62504 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 14.33 7.41373 9.33094 7.07082 7.21868 8.06642 8.62504 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 9.16358 9.66197 9.86662 14.33 7.41373 8.69531 7.07082 7.21868 4.00092 8.62504 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 6.48328 10.0911 6.37586 14.33 10.8635 9.33094 7.07082 7.93372 8.06642 8.62504 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 6.48328 9.66197 9.71307 14.33 10.8635 8.69531 7.07082 7.93372 4.00092 8.62504 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 9.32245 6.45787 9.76807 9.66676 4.78249 9.51256 5.03109 10.7199 5.7304 8.75024 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 14.7977 6.42973 7.06025 12.6984 9.79683 10.8974 7.86352 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 7.7544 10.8374 7.81386 5.97971 5.71898 9.01624 8.70425 9.81178 5.42158 9.92831 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 4.80834 7.04671 5.72887 5.52788 7.06793 9.72188 4.70535 8.923 10.4706 4.66186 numMergedOcc 0
