C9H8O4 21 1C9H8O C1 1 2.154 1.017 -0.012 0.0000 0.0000 0.0000 1C9H8O C2 2 -0.545 1.675 0.087 0.0000 0.0000 0.0000 1C9H8O C3 3 1.761 2.338 0.015 0.0000 0.0000 0.0000 1C9H8O C4 4 0.416 2.666 0.064 0.0000 0.0000 0.0000 1C9H8O C5 5 -3.466 -1.377 0.133 0.0000 0.0000 0.0000 1C9H8O C6 6 1.192 0.004 0.010 0.0000 0.0000 0.0000 1C9H8O C7 7 -0.168 0.341 0.060 0.0000 0.0000 0.0000 1C9H8O O8 8 0.765 -2.290 -0.001 0.0000 0.0000 0.0000 1C9H8O O9 9 -2.733 0.825 -0.277 0.0000 0.0000 0.0000 1C9H8O O10 10 2.912 -1.731 -0.067 0.0000 0.0000 0.0000 1C9H8O C11 11 1.604 -1.411 -0.019 0.0000 0.0000 0.0000 1C9H8O C12 12 -2.411 -0.315 -0.036 0.0000 0.0000 0.0000 1C9H8O O13 13 -1.112 -0.634 0.081 0.0000 0.0000 0.0000 1C9H8O H14 14 3.183 -2.659 -0.086 0.0000 0.0000 0.0000 1C9H8O H15 15 3.203 0.765 -0.054 0.0000 0.0000 0.0000 1C9H8O H16 16 -1.591 1.939 0.125 0.0000 0.0000 0.0000 1C9H8O H17 17 2.506 3.120 -0.002 0.0000 0.0000 0.0000 1C9H8O H18 18 0.118 3.704 0.085 0.0000 0.0000 0.0000 1C9H8O H19 19 -3.762 -1.431 1.181 0.0000 0.0000 0.0000 1C9H8O H20 20 -4.334 -1.127 -0.477 0.0000 0.0000 0.0000 1C9H8O H21 21 -3.066 -2.340 -0.182 0.0000 0.0000 0.0000 0.0 0.0 0.0