Diffusion MOLEKUEHL (master) Browse

R11301/targets/qm9_0.xyz
c0cc91ff32f3master

qm9_0.xyz
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			11
			gdb 130886 3.91779 1.23486 0.93892 2.8542 61.29 -0.2856 -0.1474 0.1382 1104.124 0.064557 -488.675631 -488.668411 -488.667467 -488.708366 25.078
			O -0.88777 1.20139 0.13818
			C 0.22842 0.83753 -0.12531
			C 1.41532 1.76092 -0.03301
			N 2.56895 1.27353 -0.33874
			C 3.67669 2.12554 -0.25550
			O 4.79653 1.80880 -0.50684
			O 3.45439 3.45275 0.15581
			N 2.21459 3.95133 0.47721
			C 1.22828 3.13004 0.38499
			H 0.48465 -0.18625 -0.45667
			H 0.24732 3.51443 0.63642