0 mol 17 unq 0 iso 0 dist 9.5937 6.80314 12.7368 4.2802 12.7522 8.26398 7.34681 11.0023 13.5569 6.64199 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.5937 6.80314 12.7368 4.2802 12.7522 8.26398 12.5763 17.9152 13.9821 8.90155 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 7.34681 6.80314 13.5569 4.2802 6.64199 8.26398 12.5763 11.1609 13.9821 8.90155 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.53081 6.42242 5.84184 10.1874 10.3437 5.82264 14.7411 12.9841 11.0606 6.89752 numMergedOcc 0
4 mol 101 unq 0 iso 0 dist 7.1859 7.73086 4.93063 4.4529 7.33426 9.44645 12.0009 10.7319 14.9783 8.17175 numMergedOcc 0
5 mol 158 unq 0 iso 0 dist 9.38856 8.07946 9.75659 5.34159 13.1934 7.20362 10.6047 10.9945 4.19752 9.04564 numMergedOcc 0
6 mol 230 unq 0 iso 0 dist 9.14989 9.07808 4.32112 9.09648 7.51295 8.91416 17.0164 9.462 12.2677 9.73038 numMergedOcc 0
7 mol 244 unq 0 iso 0 dist 7.43391 9.97458 16.3 4.80974 11.4167 9.30179 7.79787 12.5222 4.89551 9.45199 numMergedOcc 0
8 mol 244 unq 1 iso 0 dist 7.43391 9.97458 16.3 13.59 19.1923 6.10489 7.79787 12.5222 4.89551 9.07512 numMergedOcc 0
9 mol 254 unq 0 iso 0 dist 9.54511 7.00841 9.6988 11.9928 15.4203 9.50951 14.7102 15.9133 8.65259 7.40957 numMergedOcc 0
10 mol 258 unq 0 iso 0 dist 9.8165 8.51736 10.5286 11.4354 16.7864 7.08328 16.4812 19.5621 9.25159 6.90511 numMergedOcc 0
11 mol 261 unq 0 iso 0 dist 9.72159 6.45102 7.0673 4.30068 13.812 9.41212 4.85199 10.4196 5.52134 7.14871 numMergedOcc 0
12 mol 261 unq 1 iso 0 dist 6.89731 9.20425 7.0673 10.2597 13.812 9.41212 9.13604 10.4196 5.52134 7.14871 numMergedOcc 0
13 mol 261 unq 2 iso 0 dist 9.85607 9.20425 9.06697 10.2597 16.4733 9.41212 9.13604 10.8346 5.52134 7.14871 numMergedOcc 0
14 mol 282 unq 0 iso 0 dist 8.54984 8.42086 6.45254 4.01024 11.1643 8.46115 6.04225 5.72971 4.0078 7.21879 numMergedOcc 0
15 mol 282 unq 1 iso 0 dist 9.98886 7.84236 12.9261 4.4471 14.1761 8.46115 5.00258 10.6828 4.0078 7.21879 numMergedOcc 0
