COMPND HMDB0032370 HETATM 1 C1 UNL 1 4.355 -1.567 -0.537 1.00 0.00 C HETATM 2 C2 UNL 1 4.472 -0.109 -0.193 1.00 0.00 C HETATM 3 O1 UNL 1 5.693 0.011 0.524 1.00 0.00 O HETATM 4 C3 UNL 1 3.366 0.360 0.665 1.00 0.00 C HETATM 5 C4 UNL 1 2.050 0.221 0.013 1.00 0.00 C HETATM 6 O2 UNL 1 1.857 -0.177 -1.164 1.00 0.00 O HETATM 7 O3 UNL 1 0.862 0.543 0.706 1.00 0.00 O HETATM 8 C5 UNL 1 -0.400 0.410 0.087 1.00 0.00 C HETATM 9 C6 UNL 1 -0.965 1.832 0.054 1.00 0.00 C HETATM 10 C7 UNL 1 -2.284 1.834 -0.680 1.00 0.00 C HETATM 11 C8 UNL 1 -2.726 3.275 -0.825 1.00 0.00 C HETATM 12 C9 UNL 1 -3.275 0.989 0.077 1.00 0.00 C HETATM 13 C10 UNL 1 -2.663 0.218 1.203 1.00 0.00 C HETATM 14 C11 UNL 1 -1.346 -0.415 0.893 1.00 0.00 C HETATM 15 C12 UNL 1 -1.529 -1.830 0.343 1.00 0.00 C HETATM 16 C13 UNL 1 -2.064 -1.878 -1.041 1.00 0.00 C HETATM 17 C14 UNL 1 -0.266 -2.629 0.458 1.00 0.00 C HETATM 18 H1 UNL 1 5.094 -1.840 -1.326 1.00 0.00 H HETATM 19 H2 UNL 1 4.599 -2.114 0.425 1.00 0.00 H HETATM 20 H3 UNL 1 3.355 -1.803 -0.870 1.00 0.00 H HETATM 21 H4 UNL 1 4.639 0.520 -1.099 1.00 0.00 H HETATM 22 H5 UNL 1 5.930 0.953 0.676 1.00 0.00 H HETATM 23 H6 UNL 1 3.563 1.452 0.893 1.00 0.00 H HETATM 24 H7 UNL 1 3.397 -0.133 1.662 1.00 0.00 H HETATM 25 H8 UNL 1 -0.240 0.033 -0.938 1.00 0.00 H HETATM 26 H9 UNL 1 -1.118 2.130 1.107 1.00 0.00 H HETATM 27 H10 UNL 1 -0.237 2.487 -0.480 1.00 0.00 H HETATM 28 H11 UNL 1 -2.079 1.445 -1.700 1.00 0.00 H HETATM 29 H12 UNL 1 -2.065 3.982 -0.268 1.00 0.00 H HETATM 30 H13 UNL 1 -3.745 3.395 -0.395 1.00 0.00 H HETATM 31 H14 UNL 1 -2.722 3.615 -1.883 1.00 0.00 H HETATM 32 H15 UNL 1 -4.020 1.686 0.521 1.00 0.00 H HETATM 33 H16 UNL 1 -3.837 0.367 -0.647 1.00 0.00 H HETATM 34 H17 UNL 1 -3.375 -0.596 1.468 1.00 0.00 H HETATM 35 H18 UNL 1 -2.608 0.873 2.101 1.00 0.00 H HETATM 36 H19 UNL 1 -0.842 -0.586 1.892 1.00 0.00 H HETATM 37 H20 UNL 1 -2.286 -2.329 1.015 1.00 0.00 H HETATM 38 H21 UNL 1 -1.725 -1.106 -1.729 1.00 0.00 H HETATM 39 H22 UNL 1 -3.189 -1.975 -1.026 1.00 0.00 H HETATM 40 H23 UNL 1 -1.729 -2.861 -1.489 1.00 0.00 H HETATM 41 H24 UNL 1 -0.568 -3.710 0.539 1.00 0.00 H HETATM 42 H25 UNL 1 0.373 -2.560 -0.436 1.00 0.00 H HETATM 43 H26 UNL 1 0.302 -2.414 1.388 1.00 0.00 H CONECT 1 2 18 19 20 CONECT 2 3 4 21 CONECT 3 22 CONECT 4 5 23 24 CONECT 5 6 6 7 CONECT 7 8 CONECT 8 9 14 25 CONECT 9 10 26 27 CONECT 10 11 12 28 CONECT 11 29 30 31 CONECT 12 13 32 33 CONECT 13 14 34 35 CONECT 14 15 36 CONECT 15 16 17 37 CONECT 16 38 39 40 CONECT 17 41 42 43 END