COMPND HMDB0029240 HETATM 1 C1 UNL 1 -4.490 2.051 -2.186 1.00 0.00 C HETATM 2 O1 UNL 1 -5.184 1.504 -1.116 1.00 0.00 O HETATM 3 C2 UNL 1 -4.700 0.548 -0.263 1.00 0.00 C HETATM 4 C3 UNL 1 -3.412 -0.003 -0.370 1.00 0.00 C HETATM 5 C4 UNL 1 -2.952 -0.952 0.489 1.00 0.00 C HETATM 6 C5 UNL 1 -1.622 -1.505 0.483 1.00 0.00 C HETATM 7 O2 UNL 1 -1.486 -2.711 1.075 1.00 0.00 O1+ HETATM 8 C6 UNL 1 -0.371 -3.364 1.165 1.00 0.00 C HETATM 9 C7 UNL 1 -0.310 -4.587 1.782 1.00 0.00 C HETATM 10 C8 UNL 1 0.872 -5.274 1.870 1.00 0.00 C HETATM 11 O3 UNL 1 0.919 -6.511 2.498 1.00 0.00 O HETATM 12 C9 UNL 1 1.984 -4.686 1.313 1.00 0.00 C HETATM 13 C10 UNL 1 1.960 -3.448 0.680 1.00 0.00 C HETATM 14 C11 UNL 1 0.751 -2.784 0.613 1.00 0.00 C HETATM 15 C12 UNL 1 0.699 -1.542 -0.014 1.00 0.00 C HETATM 16 C13 UNL 1 -0.547 -0.890 -0.068 1.00 0.00 C HETATM 17 O4 UNL 1 -0.614 0.333 -0.666 1.00 0.00 O HETATM 18 C14 UNL 1 -0.586 1.585 0.029 1.00 0.00 C HETATM 19 O5 UNL 1 -1.368 2.476 -0.598 1.00 0.00 O HETATM 20 C15 UNL 1 -0.938 3.687 -0.982 1.00 0.00 C HETATM 21 C16 UNL 1 -0.483 3.739 -2.424 1.00 0.00 C HETATM 22 O6 UNL 1 -1.492 3.412 -3.329 1.00 0.00 O HETATM 23 C17 UNL 1 0.067 4.362 -0.089 1.00 0.00 C HETATM 24 O7 UNL 1 -0.371 5.572 0.434 1.00 0.00 O HETATM 25 C18 UNL 1 0.522 3.465 1.036 1.00 0.00 C HETATM 26 O8 UNL 1 1.670 3.889 1.649 1.00 0.00 O HETATM 27 C19 UNL 1 0.766 2.084 0.396 1.00 0.00 C HETATM 28 O9 UNL 1 1.302 1.327 1.448 1.00 0.00 O HETATM 29 C20 UNL 1 1.914 -0.992 -0.584 1.00 0.00 C HETATM 30 C21 UNL 1 3.060 -1.633 -0.518 1.00 0.00 C HETATM 31 C22 UNL 1 4.313 -1.149 -1.062 1.00 0.00 C HETATM 32 C23 UNL 1 4.389 0.052 -1.692 1.00 0.00 C HETATM 33 C24 UNL 1 5.594 0.519 -2.222 1.00 0.00 C HETATM 34 C25 UNL 1 6.733 -0.212 -2.126 1.00 0.00 C HETATM 35 O10 UNL 1 7.939 0.211 -2.635 1.00 0.00 O HETATM 36 C26 UNL 1 6.663 -1.441 -1.485 1.00 0.00 C HETATM 37 O11 UNL 1 7.801 -2.221 -1.363 1.00 0.00 O HETATM 38 C27 UNL 1 5.471 -1.888 -0.967 1.00 0.00 C HETATM 39 O12 UNL 1 3.097 -2.891 0.127 1.00 0.00 O HETATM 40 C28 UNL 1 -3.847 -1.355 1.496 1.00 0.00 C HETATM 41 C29 UNL 1 -5.099 -0.862 1.650 1.00 0.00 C HETATM 42 O13 UNL 1 -5.961 -1.279 2.654 1.00 0.00 O HETATM 43 C30 UNL 1 -5.476 -2.266 3.547 1.00 0.00 C HETATM 44 C31 UNL 1 -5.538 0.098 0.768 1.00 0.00 C HETATM 45 O14 UNL 1 -6.802 0.646 0.864 1.00 0.00 O HETATM 46 H1 UNL 1 -4.996 1.837 -3.176 1.00 0.00 H HETATM 47 H2 UNL 1 -3.430 1.802 -2.280 1.00 0.00 H HETATM 48 H3 UNL 1 -4.579 3.180 -2.114 1.00 0.00 H HETATM 49 H4 UNL 1 -2.789 0.311 -1.185 1.00 0.00 H HETATM 50 H5 UNL 1 -1.221 -4.993 2.200 1.00 0.00 H HETATM 51 H6 UNL 1 0.763 -7.357 1.968 1.00 0.00 H HETATM 52 H7 UNL 1 2.910 -5.231 1.382 1.00 0.00 H HETATM 53 H8 UNL 1 -1.063 1.324 1.043 1.00 0.00 H HETATM 54 H9 UNL 1 -1.847 4.368 -0.951 1.00 0.00 H HETATM 55 H10 UNL 1 0.434 3.117 -2.607 1.00 0.00 H HETATM 56 H11 UNL 1 -0.170 4.785 -2.710 1.00 0.00 H HETATM 57 H12 UNL 1 -1.159 3.737 -4.222 1.00 0.00 H HETATM 58 H13 UNL 1 0.962 4.587 -0.694 1.00 0.00 H HETATM 59 H14 UNL 1 0.176 5.753 1.244 1.00 0.00 H HETATM 60 H15 UNL 1 -0.296 3.325 1.768 1.00 0.00 H HETATM 61 H16 UNL 1 1.530 4.226 2.554 1.00 0.00 H HETATM 62 H17 UNL 1 1.502 2.149 -0.391 1.00 0.00 H HETATM 63 H18 UNL 1 2.284 1.322 1.416 1.00 0.00 H HETATM 64 H19 UNL 1 1.860 -0.049 -1.085 1.00 0.00 H HETATM 65 H20 UNL 1 3.533 0.682 -1.808 1.00 0.00 H HETATM 66 H21 UNL 1 5.593 1.491 -2.713 1.00 0.00 H HETATM 67 H22 UNL 1 8.788 -0.306 -2.585 1.00 0.00 H HETATM 68 H23 UNL 1 7.788 -3.117 -0.902 1.00 0.00 H HETATM 69 H24 UNL 1 5.425 -2.845 -0.468 1.00 0.00 H HETATM 70 H25 UNL 1 -3.496 -2.100 2.177 1.00 0.00 H HETATM 71 H26 UNL 1 -5.189 -3.183 2.968 1.00 0.00 H HETATM 72 H27 UNL 1 -4.501 -1.862 3.950 1.00 0.00 H HETATM 73 H28 UNL 1 -6.158 -2.488 4.370 1.00 0.00 H HETATM 74 H29 UNL 1 -7.489 0.421 1.541 1.00 0.00 H CONECT 1 2 46 47 48 CONECT 2 3 CONECT 3 4 4 44 CONECT 4 5 49 CONECT 5 6 40 40 CONECT 6 7 7 16 CONECT 7 8 CONECT 8 9 9 14 CONECT 9 10 50 CONECT 10 11 12 12 CONECT 11 51 CONECT 12 13 52 CONECT 13 14 14 39 CONECT 14 15 CONECT 15 16 16 29 CONECT 16 17 CONECT 17 18 CONECT 18 19 27 53 CONECT 19 20 CONECT 20 21 23 54 CONECT 21 22 55 56 CONECT 22 57 CONECT 23 24 25 58 CONECT 24 59 CONECT 25 26 27 60 CONECT 26 61 CONECT 27 28 62 CONECT 28 63 CONECT 29 30 30 64 CONECT 30 31 39 CONECT 31 32 32 38 CONECT 32 33 65 CONECT 33 34 34 66 CONECT 34 35 36 CONECT 35 67 CONECT 36 37 38 38 CONECT 37 68 CONECT 38 69 CONECT 40 41 70 CONECT 41 42 44 44 CONECT 42 43 CONECT 43 71 72 73 CONECT 44 45 CONECT 45 74 END