COMPND HMDB0038097 HETATM 1 C1 UNL 1 -6.022 -2.316 0.434 1.00 0.00 C HETATM 2 O1 UNL 1 -5.046 -3.251 0.085 1.00 0.00 O HETATM 3 C2 UNL 1 -3.706 -2.969 -0.063 1.00 0.00 C HETATM 4 C3 UNL 1 -3.250 -1.696 0.138 1.00 0.00 C HETATM 5 C4 UNL 1 -1.902 -1.330 0.007 1.00 0.00 C HETATM 6 C5 UNL 1 -1.529 0.062 0.244 1.00 0.00 C HETATM 7 O2 UNL 1 -2.523 0.885 0.571 1.00 0.00 O1+ HETATM 8 C6 UNL 1 -2.410 2.142 0.820 1.00 0.00 C HETATM 9 C7 UNL 1 -3.490 2.945 1.156 1.00 0.00 C HETATM 10 C8 UNL 1 -3.334 4.286 1.416 1.00 0.00 C HETATM 11 O3 UNL 1 -4.422 5.084 1.752 1.00 0.00 O HETATM 12 C9 UNL 1 -2.101 4.869 1.349 1.00 0.00 C HETATM 13 C10 UNL 1 -0.986 4.087 1.012 1.00 0.00 C HETATM 14 O4 UNL 1 0.243 4.714 0.956 1.00 0.00 O HETATM 15 C11 UNL 1 -1.171 2.733 0.754 1.00 0.00 C HETATM 16 C12 UNL 1 -0.099 1.942 0.422 1.00 0.00 C HETATM 17 C13 UNL 1 -0.271 0.577 0.159 1.00 0.00 C HETATM 18 O5 UNL 1 0.787 -0.216 -0.171 1.00 0.00 O HETATM 19 C14 UNL 1 2.124 0.085 -0.315 1.00 0.00 C HETATM 20 O6 UNL 1 2.605 -0.184 -1.610 1.00 0.00 O HETATM 21 C15 UNL 1 3.898 0.311 -1.668 1.00 0.00 C HETATM 22 C16 UNL 1 4.436 0.374 -3.076 1.00 0.00 C HETATM 23 O7 UNL 1 3.629 1.205 -3.850 1.00 0.00 O HETATM 24 C17 UNL 1 4.762 -0.629 -0.844 1.00 0.00 C HETATM 25 O8 UNL 1 6.103 -0.376 -1.105 1.00 0.00 O HETATM 26 C18 UNL 1 4.400 -0.370 0.601 1.00 0.00 C HETATM 27 O9 UNL 1 5.115 -1.195 1.443 1.00 0.00 O HETATM 28 C19 UNL 1 2.905 -0.692 0.725 1.00 0.00 C HETATM 29 O10 UNL 1 2.515 -0.215 1.976 1.00 0.00 O HETATM 30 C20 UNL 1 -1.032 -2.310 -0.336 1.00 0.00 C HETATM 31 C21 UNL 1 -1.451 -3.622 -0.550 1.00 0.00 C HETATM 32 O11 UNL 1 -0.535 -4.603 -0.900 1.00 0.00 O HETATM 33 C22 UNL 1 -2.790 -3.935 -0.409 1.00 0.00 C HETATM 34 O12 UNL 1 -3.243 -5.225 -0.613 1.00 0.00 O HETATM 35 H1 UNL 1 -6.262 -1.698 -0.451 1.00 0.00 H HETATM 36 H2 UNL 1 -6.960 -2.802 0.770 1.00 0.00 H HETATM 37 H3 UNL 1 -5.692 -1.625 1.242 1.00 0.00 H HETATM 38 H4 UNL 1 -3.969 -0.921 0.413 1.00 0.00 H HETATM 39 H5 UNL 1 -4.457 2.487 1.208 1.00 0.00 H HETATM 40 H6 UNL 1 -4.663 5.175 2.748 1.00 0.00 H HETATM 41 H7 UNL 1 -1.991 5.907 1.552 1.00 0.00 H HETATM 42 H8 UNL 1 1.100 4.264 0.729 1.00 0.00 H HETATM 43 H9 UNL 1 0.870 2.362 0.362 1.00 0.00 H HETATM 44 H10 UNL 1 2.366 1.147 -0.137 1.00 0.00 H HETATM 45 H11 UNL 1 3.894 1.325 -1.231 1.00 0.00 H HETATM 46 H12 UNL 1 5.430 0.899 -3.002 1.00 0.00 H HETATM 47 H13 UNL 1 4.620 -0.606 -3.513 1.00 0.00 H HETATM 48 H14 UNL 1 3.776 2.143 -3.576 1.00 0.00 H HETATM 49 H15 UNL 1 4.538 -1.679 -1.081 1.00 0.00 H HETATM 50 H16 UNL 1 6.655 -0.968 -0.548 1.00 0.00 H HETATM 51 H17 UNL 1 4.499 0.706 0.835 1.00 0.00 H HETATM 52 H18 UNL 1 4.499 -1.584 2.096 1.00 0.00 H HETATM 53 H19 UNL 1 2.718 -1.769 0.693 1.00 0.00 H HETATM 54 H20 UNL 1 1.861 -0.830 2.398 1.00 0.00 H HETATM 55 H21 UNL 1 0.025 -2.114 -0.457 1.00 0.00 H HETATM 56 H22 UNL 1 -0.851 -5.547 -1.052 1.00 0.00 H HETATM 57 H23 UNL 1 -4.216 -5.437 -0.508 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 CONECT 3 4 4 33 CONECT 4 5 38 CONECT 5 6 30 30 CONECT 6 7 7 17 CONECT 7 8 CONECT 8 9 9 15 CONECT 9 10 39 CONECT 10 11 12 12 CONECT 11 40 CONECT 12 13 41 CONECT 13 14 15 15 CONECT 14 42 CONECT 15 16 CONECT 16 17 17 43 CONECT 17 18 CONECT 18 19 CONECT 19 20 28 44 CONECT 20 21 CONECT 21 22 24 45 CONECT 22 23 46 47 CONECT 23 48 CONECT 24 25 26 49 CONECT 25 50 CONECT 26 27 28 51 CONECT 27 52 CONECT 28 29 53 CONECT 29 54 CONECT 30 31 55 CONECT 31 32 33 33 CONECT 32 56 CONECT 33 34 CONECT 34 57 END