C9H8O4 21 1C9H8O C1 1 2.239 -0.379 0.263 0.0000 0.0000 0.0000 1C9H8O C2 2 0.842 1.923 -0.425 0.0000 0.0000 0.0000 1C9H8O C3 3 2.871 0.846 0.272 0.0000 0.0000 0.0000 1C9H8O C4 4 2.175 1.994 -0.070 0.0000 0.0000 0.0000 1C9H8O C5 5 -3.484 0.495 -0.090 0.0000 0.0000 0.0000 1C9H8O C6 6 0.891 -0.465 -0.094 0.0000 0.0000 0.0000 1C9H8O C7 7 0.191 0.699 -0.440 0.0000 0.0000 0.0000 1C9H8O O8 8 -0.963 -1.843 -0.419 0.0000 0.0000 0.0000 1C9H8O O9 9 -1.653 0.889 1.341 0.0000 0.0000 0.0000 1C9H8O O10 10 0.886 -2.888 0.227 0.0000 0.0000 0.0000 1C9H8O C11 11 0.209 -1.772 -0.107 0.0000 0.0000 0.0000 1C9H8O C12 12 -2.019 0.685 0.207 0.0000 0.0000 0.0000 1C9H8O O13 13 -1.119 0.628 -0.789 0.0000 0.0000 0.0000 1C9H8O H14 14 0.396 -3.722 0.203 0.0000 0.0000 0.0000 1C9H8O H15 15 2.787 -1.272 0.527 0.0000 0.0000 0.0000 1C9H8O H16 16 0.307 2.822 -0.691 0.0000 0.0000 0.0000 1C9H8O H17 17 3.913 0.911 0.548 0.0000 0.0000 0.0000 1C9H8O H18 18 2.678 2.949 -0.060 0.0000 0.0000 0.0000 1C9H8O H19 19 -3.736 -0.562 -0.012 0.0000 0.0000 0.0000 1C9H8O H20 20 -4.076 1.064 0.627 0.0000 0.0000 0.0000 1C9H8O H21 21 -3.699 0.847 -1.099 0.0000 0.0000 0.0000 0.0 0.0 0.0