COMPND HMDB0037652 HETATM 1 O1 UNL 1 4.241 -3.846 3.675 1.00 0.00 O HETATM 2 C1 UNL 1 3.391 -3.060 2.902 1.00 0.00 C HETATM 3 C2 UNL 1 2.032 -3.012 3.110 1.00 0.00 C HETATM 4 C3 UNL 1 1.199 -2.236 2.346 1.00 0.00 C HETATM 5 O2 UNL 1 -0.184 -2.189 2.559 1.00 0.00 O HETATM 6 C4 UNL 1 1.744 -1.463 1.317 1.00 0.00 C HETATM 7 C5 UNL 1 3.098 -1.474 1.067 1.00 0.00 C HETATM 8 C6 UNL 1 3.887 -2.282 1.878 1.00 0.00 C HETATM 9 O3 UNL 1 3.630 -0.695 0.036 1.00 0.00 O HETATM 10 C7 UNL 1 3.014 0.568 -0.144 1.00 0.00 C HETATM 11 C8 UNL 1 3.582 1.292 -1.307 1.00 0.00 C HETATM 12 C9 UNL 1 3.867 2.627 -1.164 1.00 0.00 C HETATM 13 C10 UNL 1 4.405 3.421 -2.180 1.00 0.00 C HETATM 14 O4 UNL 1 4.650 4.758 -1.916 1.00 0.00 O HETATM 15 C11 UNL 1 4.658 2.816 -3.384 1.00 0.00 C HETATM 16 O5 UNL 1 5.190 3.552 -4.424 1.00 0.00 O HETATM 17 C12 UNL 1 4.369 1.457 -3.533 1.00 0.00 C HETATM 18 O6 UNL 1 4.621 0.834 -4.746 1.00 0.00 O HETATM 19 C13 UNL 1 3.839 0.703 -2.512 1.00 0.00 C HETATM 20 C14 UNL 1 1.550 0.343 -0.420 1.00 0.00 C HETATM 21 O7 UNL 1 1.463 -0.062 -1.771 1.00 0.00 O HETATM 22 C15 UNL 1 0.858 -0.631 0.471 1.00 0.00 C HETATM 23 C16 UNL 1 -0.051 -1.480 -0.357 1.00 0.00 C HETATM 24 C17 UNL 1 0.377 -2.397 -1.280 1.00 0.00 C HETATM 25 O8 UNL 1 1.724 -2.593 -1.473 1.00 0.00 O HETATM 26 C18 UNL 1 -0.512 -3.138 -2.029 1.00 0.00 C HETATM 27 C19 UNL 1 -1.878 -2.997 -1.888 1.00 0.00 C HETATM 28 O9 UNL 1 -2.815 -3.716 -2.614 1.00 0.00 O HETATM 29 C20 UNL 1 -2.336 -2.064 -0.947 1.00 0.00 C HETATM 30 C21 UNL 1 -1.448 -1.332 -0.208 1.00 0.00 C HETATM 31 O10 UNL 1 -1.954 -0.424 0.707 1.00 0.00 O HETATM 32 C22 UNL 1 -3.180 0.229 0.378 1.00 0.00 C HETATM 33 C23 UNL 1 -3.584 1.177 1.425 1.00 0.00 C HETATM 34 C24 UNL 1 -2.695 2.039 1.992 1.00 0.00 C HETATM 35 C25 UNL 1 -3.027 2.948 2.979 1.00 0.00 C HETATM 36 O11 UNL 1 -2.082 3.795 3.514 1.00 0.00 O HETATM 37 C26 UNL 1 -4.344 2.971 3.404 1.00 0.00 C HETATM 38 O12 UNL 1 -4.663 3.887 4.393 1.00 0.00 O HETATM 39 C27 UNL 1 -5.261 2.114 2.849 1.00 0.00 C HETATM 40 O13 UNL 1 -6.572 2.176 3.311 1.00 0.00 O HETATM 41 C28 UNL 1 -4.889 1.204 1.851 1.00 0.00 C HETATM 42 C29 UNL 1 -4.247 -0.746 0.008 1.00 0.00 C HETATM 43 O14 UNL 1 -5.252 -0.069 -0.711 1.00 0.00 O HETATM 44 C30 UNL 1 -3.794 -1.913 -0.782 1.00 0.00 C HETATM 45 H1 UNL 1 4.403 -4.791 3.347 1.00 0.00 H HETATM 46 H2 UNL 1 1.641 -3.619 3.911 1.00 0.00 H HETATM 47 H3 UNL 1 -0.555 -2.759 3.311 1.00 0.00 H HETATM 48 H4 UNL 1 4.963 -2.281 1.662 1.00 0.00 H HETATM 49 H5 UNL 1 3.118 1.219 0.774 1.00 0.00 H HETATM 50 H6 UNL 1 3.667 3.118 -0.204 1.00 0.00 H HETATM 51 H7 UNL 1 5.029 5.378 -2.587 1.00 0.00 H HETATM 52 H8 UNL 1 5.411 4.528 -4.356 1.00 0.00 H HETATM 53 H9 UNL 1 5.009 1.313 -5.547 1.00 0.00 H HETATM 54 H10 UNL 1 3.616 -0.348 -2.624 1.00 0.00 H HETATM 55 H11 UNL 1 1.097 1.377 -0.326 1.00 0.00 H HETATM 56 H12 UNL 1 0.723 0.432 -2.202 1.00 0.00 H HETATM 57 H13 UNL 1 0.173 -0.043 1.152 1.00 0.00 H HETATM 58 H14 UNL 1 2.076 -3.260 -2.145 1.00 0.00 H HETATM 59 H15 UNL 1 -0.137 -3.862 -2.759 1.00 0.00 H HETATM 60 H16 UNL 1 -2.501 -4.381 -3.285 1.00 0.00 H HETATM 61 H17 UNL 1 -2.983 0.854 -0.543 1.00 0.00 H HETATM 62 H18 UNL 1 -1.670 2.028 1.669 1.00 0.00 H HETATM 63 H19 UNL 1 -2.370 4.444 4.233 1.00 0.00 H HETATM 64 H20 UNL 1 -5.606 3.918 4.712 1.00 0.00 H HETATM 65 H21 UNL 1 -7.305 1.569 2.945 1.00 0.00 H HETATM 66 H22 UNL 1 -5.683 0.576 1.481 1.00 0.00 H HETATM 67 H23 UNL 1 -4.718 -1.127 0.950 1.00 0.00 H HETATM 68 H24 UNL 1 -5.565 -0.610 -1.464 1.00 0.00 H HETATM 69 H25 UNL 1 -4.195 -2.893 -0.375 1.00 0.00 H HETATM 70 H26 UNL 1 -4.264 -1.874 -1.815 1.00 0.00 H CONECT 1 2 45 CONECT 2 3 3 8 CONECT 3 4 46 CONECT 4 5 6 6 CONECT 5 47 CONECT 6 7 22 CONECT 7 8 8 9 CONECT 8 48 CONECT 9 10 CONECT 10 11 20 49 CONECT 11 12 12 19 CONECT 12 13 50 CONECT 13 14 15 15 CONECT 14 51 CONECT 15 16 17 CONECT 16 52 CONECT 17 18 19 19 CONECT 18 53 CONECT 19 54 CONECT 20 21 22 55 CONECT 21 56 CONECT 22 23 57 CONECT 23 24 24 30 CONECT 24 25 26 CONECT 25 58 CONECT 26 27 27 59 CONECT 27 28 29 CONECT 28 60 CONECT 29 30 30 44 CONECT 30 31 CONECT 31 32 CONECT 32 33 42 61 CONECT 33 34 34 41 CONECT 34 35 62 CONECT 35 36 37 37 CONECT 36 63 CONECT 37 38 39 CONECT 38 64 CONECT 39 40 41 41 CONECT 40 65 CONECT 41 66 CONECT 42 43 44 67 CONECT 43 68 CONECT 44 69 70 END