Diffusion MOLEKUEHL (master) Browse

R11301/qm7/qm7_1138.xyz
b3236b2c31ffmaster

qm7_1138.xyz
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			11
			-1151.39
			O 2.73670 -1.10326 0.05931
			C 2.23283 0.00950 -0.00100
			N 2.91983 1.19055 -0.02862
			C 4.36034 1.20940 0.00000
			C 4.84236 2.57058 0.00000
			C 5.23964 3.69247 0.00000
			H 1.14178 0.16507 -0.04037
			H 2.41404 2.06265 -0.10280
			H 4.72440 0.65809 -0.87373
			H 4.69272 0.66824 0.89249
			H 5.60038 4.69552 0.00069