COMPND HMDB0037364 HETATM 1 O1 UNL 1 -1.556 -0.274 2.010 1.00 0.00 O HETATM 2 C1 UNL 1 -0.936 -0.622 0.977 1.00 0.00 C HETATM 3 C2 UNL 1 -1.703 -0.989 -0.149 1.00 0.00 C HETATM 4 O2 UNL 1 -3.055 -0.929 -0.025 1.00 0.00 O HETATM 5 C3 UNL 1 -3.796 0.280 -0.142 1.00 0.00 C HETATM 6 O3 UNL 1 -4.330 0.614 1.122 1.00 0.00 O HETATM 7 C4 UNL 1 -4.608 1.962 1.106 1.00 0.00 C HETATM 8 C5 UNL 1 -5.142 2.378 2.476 1.00 0.00 C HETATM 9 O4 UNL 1 -5.418 3.744 2.454 1.00 0.00 O HETATM 10 C6 UNL 1 -5.678 2.319 0.104 1.00 0.00 C HETATM 11 O5 UNL 1 -5.555 3.692 -0.164 1.00 0.00 O HETATM 12 C7 UNL 1 -5.598 1.570 -1.162 1.00 0.00 C HETATM 13 O6 UNL 1 -6.893 1.434 -1.688 1.00 0.00 O HETATM 14 C8 UNL 1 -4.933 0.208 -1.087 1.00 0.00 C HETATM 15 O7 UNL 1 -5.870 -0.735 -0.597 1.00 0.00 O HETATM 16 C9 UNL 1 -1.031 -1.367 -1.257 1.00 0.00 C HETATM 17 C10 UNL 1 -1.644 -1.791 -2.508 1.00 0.00 C HETATM 18 C11 UNL 1 -2.950 -2.142 -2.622 1.00 0.00 C HETATM 19 C12 UNL 1 -3.533 -2.512 -3.834 1.00 0.00 C HETATM 20 C13 UNL 1 -2.739 -2.517 -4.943 1.00 0.00 C HETATM 21 O8 UNL 1 -3.270 -2.877 -6.169 1.00 0.00 O HETATM 22 C14 UNL 1 -1.415 -2.170 -4.872 1.00 0.00 C HETATM 23 O9 UNL 1 -0.638 -2.184 -5.998 1.00 0.00 O HETATM 24 C15 UNL 1 -0.876 -1.811 -3.662 1.00 0.00 C HETATM 25 O10 UNL 1 0.317 -1.377 -1.260 1.00 0.00 O HETATM 26 C16 UNL 1 1.053 -1.044 -0.247 1.00 0.00 C HETATM 27 C17 UNL 1 2.453 -1.086 -0.349 1.00 0.00 C HETATM 28 C18 UNL 1 3.245 -0.736 0.714 1.00 0.00 C HETATM 29 O11 UNL 1 4.597 -0.796 0.550 1.00 0.00 O HETATM 30 C19 UNL 1 5.592 -0.494 1.486 1.00 0.00 C HETATM 31 O12 UNL 1 6.482 -1.562 1.490 1.00 0.00 O HETATM 32 C20 UNL 1 7.423 -1.463 2.498 1.00 0.00 C HETATM 33 C21 UNL 1 7.798 -0.065 2.853 1.00 0.00 C HETATM 34 O13 UNL 1 7.164 0.345 4.034 1.00 0.00 O HETATM 35 C22 UNL 1 7.516 0.954 1.802 1.00 0.00 C HETATM 36 O14 UNL 1 8.651 1.186 0.988 1.00 0.00 O HETATM 37 C23 UNL 1 6.363 0.689 0.908 1.00 0.00 C HETATM 38 O15 UNL 1 5.489 1.792 0.861 1.00 0.00 O HETATM 39 C24 UNL 1 2.625 -0.349 1.864 1.00 0.00 C HETATM 40 C25 UNL 1 1.223 -0.292 2.012 1.00 0.00 C HETATM 41 O16 UNL 1 0.683 0.100 3.179 1.00 0.00 O HETATM 42 C26 UNL 1 0.447 -0.648 0.932 1.00 0.00 C HETATM 43 H1 UNL 1 -3.082 1.100 -0.376 1.00 0.00 H HETATM 44 H2 UNL 1 -3.701 2.537 0.858 1.00 0.00 H HETATM 45 H3 UNL 1 -4.458 2.140 3.289 1.00 0.00 H HETATM 46 H4 UNL 1 -6.142 1.868 2.594 1.00 0.00 H HETATM 47 H5 UNL 1 -5.644 4.100 3.343 1.00 0.00 H HETATM 48 H6 UNL 1 -6.685 2.210 0.601 1.00 0.00 H HETATM 49 H7 UNL 1 -4.663 4.042 0.019 1.00 0.00 H HETATM 50 H8 UNL 1 -5.035 2.167 -1.941 1.00 0.00 H HETATM 51 H9 UNL 1 -7.421 2.209 -1.446 1.00 0.00 H HETATM 52 H10 UNL 1 -4.667 -0.056 -2.136 1.00 0.00 H HETATM 53 H11 UNL 1 -5.497 -1.225 0.174 1.00 0.00 H HETATM 54 H12 UNL 1 -3.599 -2.174 -1.773 1.00 0.00 H HETATM 55 H13 UNL 1 -4.571 -2.788 -3.922 1.00 0.00 H HETATM 56 H14 UNL 1 -2.704 -2.889 -7.001 1.00 0.00 H HETATM 57 H15 UNL 1 0.336 -1.931 -5.952 1.00 0.00 H HETATM 58 H16 UNL 1 0.187 -1.534 -3.615 1.00 0.00 H HETATM 59 H17 UNL 1 2.866 -1.408 -1.308 1.00 0.00 H HETATM 60 H18 UNL 1 5.226 -0.209 2.479 1.00 0.00 H HETATM 61 H19 UNL 1 8.294 -2.079 2.200 1.00 0.00 H HETATM 62 H20 UNL 1 6.990 -1.948 3.399 1.00 0.00 H HETATM 63 H21 UNL 1 8.886 -0.041 3.070 1.00 0.00 H HETATM 64 H22 UNL 1 7.773 0.585 4.750 1.00 0.00 H HETATM 65 H23 UNL 1 7.351 1.959 2.291 1.00 0.00 H HETATM 66 H24 UNL 1 8.912 0.272 0.650 1.00 0.00 H HETATM 67 H25 UNL 1 6.718 0.421 -0.119 1.00 0.00 H HETATM 68 H26 UNL 1 5.362 2.085 -0.059 1.00 0.00 H HETATM 69 H27 UNL 1 3.214 -0.068 2.720 1.00 0.00 H HETATM 70 H28 UNL 1 -0.200 0.220 3.524 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 42 CONECT 3 4 16 16 CONECT 4 5 CONECT 5 6 14 43 CONECT 6 7 CONECT 7 8 10 44 CONECT 8 9 45 46 CONECT 9 47 CONECT 10 11 12 48 CONECT 11 49 CONECT 12 13 14 50 CONECT 13 51 CONECT 14 15 52 CONECT 15 53 CONECT 16 17 25 CONECT 17 18 18 24 CONECT 18 19 54 CONECT 19 20 20 55 CONECT 20 21 22 CONECT 21 56 CONECT 22 23 24 24 CONECT 23 57 CONECT 24 58 CONECT 25 26 CONECT 26 27 27 42 CONECT 27 28 59 CONECT 28 29 39 39 CONECT 29 30 CONECT 30 31 37 60 CONECT 31 32 CONECT 32 33 61 62 CONECT 33 34 35 63 CONECT 34 64 CONECT 35 36 37 65 CONECT 36 66 CONECT 37 38 67 CONECT 38 68 CONECT 39 40 69 CONECT 40 41 42 42 CONECT 41 70 END