COMPND HMDB0036601 HETATM 1 C1 UNL 1 -2.425 2.765 4.091 1.00 0.00 C HETATM 2 C2 UNL 1 -2.565 2.026 2.775 1.00 0.00 C HETATM 3 O1 UNL 1 -3.314 1.048 2.752 1.00 0.00 O HETATM 4 O2 UNL 1 -1.914 2.407 1.690 1.00 0.00 O HETATM 5 C3 UNL 1 -1.742 2.071 0.388 1.00 0.00 C HETATM 6 C4 UNL 1 -1.164 0.772 0.010 1.00 0.00 C HETATM 7 C5 UNL 1 0.186 0.619 0.677 1.00 0.00 C HETATM 8 C6 UNL 1 1.337 1.293 0.032 1.00 0.00 C HETATM 9 O3 UNL 1 2.239 0.365 -0.586 1.00 0.00 O HETATM 10 C7 UNL 1 3.547 0.211 -0.219 1.00 0.00 C HETATM 11 O4 UNL 1 3.972 0.927 0.713 1.00 0.00 O HETATM 12 C8 UNL 1 4.486 -0.746 -0.853 1.00 0.00 C HETATM 13 C9 UNL 1 5.851 -0.706 -0.253 1.00 0.00 C HETATM 14 C10 UNL 1 5.868 -1.037 1.217 1.00 0.00 C HETATM 15 C11 UNL 1 6.719 -1.703 -0.994 1.00 0.00 C HETATM 16 O5 UNL 1 6.394 0.579 -0.417 1.00 0.00 O HETATM 17 C12 UNL 1 0.937 2.347 -0.939 1.00 0.00 C HETATM 18 C13 UNL 1 1.714 3.586 -1.043 1.00 0.00 C HETATM 19 C14 UNL 1 -0.133 2.157 -1.715 1.00 0.00 C HETATM 20 C15 UNL 1 -0.818 0.872 -1.512 1.00 0.00 C HETATM 21 O6 UNL 1 -1.897 0.695 -2.313 1.00 0.00 O HETATM 22 C16 UNL 1 -2.273 -0.666 -2.164 1.00 0.00 C HETATM 23 C17 UNL 1 -3.672 -0.581 -1.592 1.00 0.00 C HETATM 24 O7 UNL 1 -4.408 -1.703 -1.939 1.00 0.00 O HETATM 25 C18 UNL 1 -3.389 -0.475 -0.109 1.00 0.00 C HETATM 26 O8 UNL 1 -3.869 -1.727 0.415 1.00 0.00 O HETATM 27 C19 UNL 1 -4.926 -1.838 1.293 1.00 0.00 C HETATM 28 C20 UNL 1 -5.292 -3.220 1.740 1.00 0.00 C HETATM 29 O9 UNL 1 -5.519 -0.822 1.670 1.00 0.00 O HETATM 30 C21 UNL 1 -1.938 -0.469 0.131 1.00 0.00 C HETATM 31 C22 UNL 1 -1.643 -1.253 1.405 1.00 0.00 C HETATM 32 C23 UNL 1 -1.481 -1.337 -1.066 1.00 0.00 C HETATM 33 C24 UNL 1 -0.497 -2.254 -1.105 1.00 0.00 C HETATM 34 O10 UNL 1 -1.799 -2.708 -0.960 1.00 0.00 O HETATM 35 H1 UNL 1 -3.313 2.606 4.718 1.00 0.00 H HETATM 36 H2 UNL 1 -2.200 3.842 3.906 1.00 0.00 H HETATM 37 H3 UNL 1 -1.532 2.342 4.608 1.00 0.00 H HETATM 38 H4 UNL 1 -1.168 2.926 -0.087 1.00 0.00 H HETATM 39 H5 UNL 1 -2.765 2.228 -0.109 1.00 0.00 H HETATM 40 H6 UNL 1 0.470 -0.435 0.862 1.00 0.00 H HETATM 41 H7 UNL 1 0.032 1.047 1.716 1.00 0.00 H HETATM 42 H8 UNL 1 1.943 1.798 0.812 1.00 0.00 H HETATM 43 H9 UNL 1 4.086 -1.785 -0.766 1.00 0.00 H HETATM 44 H10 UNL 1 4.596 -0.543 -1.944 1.00 0.00 H HETATM 45 H11 UNL 1 5.769 -0.123 1.840 1.00 0.00 H HETATM 46 H12 UNL 1 5.093 -1.770 1.503 1.00 0.00 H HETATM 47 H13 UNL 1 6.869 -1.456 1.447 1.00 0.00 H HETATM 48 H14 UNL 1 7.133 -1.216 -1.915 1.00 0.00 H HETATM 49 H15 UNL 1 6.155 -2.597 -1.309 1.00 0.00 H HETATM 50 H16 UNL 1 7.542 -1.995 -0.300 1.00 0.00 H HETATM 51 H17 UNL 1 6.085 0.879 -1.324 1.00 0.00 H HETATM 52 H18 UNL 1 1.283 4.345 -0.333 1.00 0.00 H HETATM 53 H19 UNL 1 2.797 3.423 -0.810 1.00 0.00 H HETATM 54 H20 UNL 1 1.678 4.065 -2.040 1.00 0.00 H HETATM 55 H21 UNL 1 -0.449 2.893 -2.421 1.00 0.00 H HETATM 56 H22 UNL 1 -0.094 0.065 -1.760 1.00 0.00 H HETATM 57 H23 UNL 1 -2.206 -1.161 -3.129 1.00 0.00 H HETATM 58 H24 UNL 1 -4.227 0.298 -1.974 1.00 0.00 H HETATM 59 H25 UNL 1 -5.394 -1.528 -1.934 1.00 0.00 H HETATM 60 H26 UNL 1 -3.999 0.322 0.352 1.00 0.00 H HETATM 61 H27 UNL 1 -5.510 -3.172 2.828 1.00 0.00 H HETATM 62 H28 UNL 1 -4.434 -3.913 1.615 1.00 0.00 H HETATM 63 H29 UNL 1 -6.128 -3.633 1.145 1.00 0.00 H HETATM 64 H30 UNL 1 -1.158 -2.210 1.242 1.00 0.00 H HETATM 65 H31 UNL 1 -1.122 -0.561 2.095 1.00 0.00 H HETATM 66 H32 UNL 1 -2.611 -1.467 1.896 1.00 0.00 H HETATM 67 H33 UNL 1 0.165 -2.497 -0.252 1.00 0.00 H HETATM 68 H34 UNL 1 0.042 -2.514 -2.070 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 3 4 CONECT 4 5 CONECT 5 6 38 39 CONECT 6 7 20 30 CONECT 7 8 40 41 CONECT 8 9 17 42 CONECT 9 10 CONECT 10 11 11 12 CONECT 12 13 43 44 CONECT 13 14 15 16 CONECT 14 45 46 47 CONECT 15 48 49 50 CONECT 16 51 CONECT 17 18 19 19 CONECT 18 52 53 54 CONECT 19 20 55 CONECT 20 21 56 CONECT 21 22 CONECT 22 23 32 57 CONECT 23 24 25 58 CONECT 24 59 CONECT 25 26 30 60 CONECT 26 27 CONECT 27 28 29 29 CONECT 28 61 62 63 CONECT 30 31 32 CONECT 31 64 65 66 CONECT 32 33 34 CONECT 33 34 67 68 END