COMPND HMDB0015101 HETATM 1 C1 UNL 1 -0.072 6.253 -0.868 1.00 0.00 C HETATM 2 C2 UNL 1 1.170 5.597 -0.346 1.00 0.00 C HETATM 3 C3 UNL 1 1.400 4.231 -1.001 1.00 0.00 C HETATM 4 C4 UNL 1 0.231 3.338 -0.711 1.00 0.00 C HETATM 5 N1 UNL 1 -0.823 3.698 0.043 1.00 0.00 N HETATM 6 C5 UNL 1 -1.718 2.675 0.110 1.00 0.00 C HETATM 7 C6 UNL 1 -2.932 2.513 0.722 1.00 0.00 C HETATM 8 C7 UNL 1 -3.537 3.591 1.532 1.00 0.00 C HETATM 9 C8 UNL 1 -3.637 1.328 0.602 1.00 0.00 C HETATM 10 C9 UNL 1 -3.113 0.314 -0.134 1.00 0.00 C HETATM 11 C10 UNL 1 -3.736 -0.984 -0.305 1.00 0.00 C HETATM 12 N2 UNL 1 -3.250 -1.943 -1.175 1.00 0.00 N HETATM 13 C11 UNL 1 -3.991 -3.048 -1.124 1.00 0.00 C HETATM 14 C12 UNL 1 -3.879 -4.256 -1.815 1.00 0.00 C HETATM 15 C13 UNL 1 -4.789 -5.236 -1.566 1.00 0.00 C HETATM 16 C14 UNL 1 -5.791 -5.030 -0.652 1.00 0.00 C HETATM 17 C15 UNL 1 -5.899 -3.818 0.038 1.00 0.00 C HETATM 18 C16 UNL 1 -4.980 -2.830 -0.215 1.00 0.00 C HETATM 19 N3 UNL 1 -4.790 -1.554 0.266 1.00 0.00 N HETATM 20 C17 UNL 1 -5.647 -0.969 1.284 1.00 0.00 C HETATM 21 C18 UNL 1 -1.872 0.510 -0.747 1.00 0.00 C HETATM 22 C19 UNL 1 -1.141 1.669 -0.652 1.00 0.00 C HETATM 23 N4 UNL 1 0.051 2.081 -1.150 1.00 0.00 N HETATM 24 C20 UNL 1 0.945 1.298 -1.976 1.00 0.00 C HETATM 25 C21 UNL 1 1.970 0.579 -1.215 1.00 0.00 C HETATM 26 C22 UNL 1 1.670 -0.653 -0.676 1.00 0.00 C HETATM 27 C23 UNL 1 2.584 -1.406 0.053 1.00 0.00 C HETATM 28 C24 UNL 1 3.843 -0.908 0.250 1.00 0.00 C HETATM 29 C25 UNL 1 4.857 -1.629 0.985 1.00 0.00 C HETATM 30 C26 UNL 1 5.389 -1.055 2.149 1.00 0.00 C HETATM 31 C27 UNL 1 6.301 -1.719 2.885 1.00 0.00 C HETATM 32 C28 UNL 1 6.730 -2.957 2.526 1.00 0.00 C HETATM 33 C29 UNL 1 6.245 -3.548 1.411 1.00 0.00 C HETATM 34 C30 UNL 1 5.303 -2.891 0.627 1.00 0.00 C HETATM 35 C31 UNL 1 4.854 -3.541 -0.585 1.00 0.00 C HETATM 36 O1 UNL 1 4.075 -3.054 -1.421 1.00 0.00 O HETATM 37 O2 UNL 1 5.319 -4.835 -0.871 1.00 0.00 O HETATM 38 C32 UNL 1 4.144 0.328 -0.290 1.00 0.00 C HETATM 39 C33 UNL 1 3.244 1.073 -1.010 1.00 0.00 C HETATM 40 H1 UNL 1 0.222 7.248 -1.310 1.00 0.00 H HETATM 41 H2 UNL 1 -0.771 6.484 -0.049 1.00 0.00 H HETATM 42 H3 UNL 1 -0.546 5.702 -1.702 1.00 0.00 H HETATM 43 H4 UNL 1 1.093 5.420 0.738 1.00 0.00 H HETATM 44 H5 UNL 1 2.072 6.204 -0.543 1.00 0.00 H HETATM 45 H6 UNL 1 1.506 4.375 -2.092 1.00 0.00 H HETATM 46 H7 UNL 1 2.322 3.849 -0.520 1.00 0.00 H HETATM 47 H8 UNL 1 -2.768 4.074 2.186 1.00 0.00 H HETATM 48 H9 UNL 1 -4.415 3.266 2.084 1.00 0.00 H HETATM 49 H10 UNL 1 -3.829 4.399 0.799 1.00 0.00 H HETATM 50 H11 UNL 1 -4.618 1.249 1.100 1.00 0.00 H HETATM 51 H12 UNL 1 -3.082 -4.386 -2.526 1.00 0.00 H HETATM 52 H13 UNL 1 -4.759 -6.213 -2.076 1.00 0.00 H HETATM 53 H14 UNL 1 -6.546 -5.769 -0.409 1.00 0.00 H HETATM 54 H15 UNL 1 -6.685 -3.659 0.752 1.00 0.00 H HETATM 55 H16 UNL 1 -5.120 -0.634 2.174 1.00 0.00 H HETATM 56 H17 UNL 1 -6.339 -1.792 1.668 1.00 0.00 H HETATM 57 H18 UNL 1 -6.329 -0.194 0.915 1.00 0.00 H HETATM 58 H19 UNL 1 -1.428 -0.275 -1.355 1.00 0.00 H HETATM 59 H20 UNL 1 1.391 1.955 -2.778 1.00 0.00 H HETATM 60 H21 UNL 1 0.364 0.529 -2.554 1.00 0.00 H HETATM 61 H22 UNL 1 0.682 -1.072 -0.822 1.00 0.00 H HETATM 62 H23 UNL 1 2.247 -2.354 0.439 1.00 0.00 H HETATM 63 H24 UNL 1 5.032 -0.052 2.427 1.00 0.00 H HETATM 64 H25 UNL 1 6.722 -1.287 3.789 1.00 0.00 H HETATM 65 H26 UNL 1 7.460 -3.477 3.125 1.00 0.00 H HETATM 66 H27 UNL 1 6.572 -4.524 1.112 1.00 0.00 H HETATM 67 H28 UNL 1 6.172 -5.006 -1.363 1.00 0.00 H HETATM 68 H29 UNL 1 5.162 0.710 -0.120 1.00 0.00 H HETATM 69 H30 UNL 1 3.489 2.022 -1.429 1.00 0.00 H CONECT 1 2 40 41 42 CONECT 2 3 43 44 CONECT 3 4 45 46 CONECT 4 5 5 23 CONECT 5 6 CONECT 6 7 7 22 CONECT 7 8 9 CONECT 8 47 48 49 CONECT 9 10 10 50 CONECT 10 11 21 CONECT 11 12 12 19 CONECT 12 13 CONECT 13 14 14 18 CONECT 14 15 51 CONECT 15 16 16 52 CONECT 16 17 53 CONECT 17 18 18 54 CONECT 18 19 CONECT 19 20 CONECT 20 55 56 57 CONECT 21 22 22 58 CONECT 22 23 CONECT 23 24 CONECT 24 25 59 60 CONECT 25 26 26 39 CONECT 26 27 61 CONECT 27 28 28 62 CONECT 28 29 38 CONECT 29 30 30 34 CONECT 30 31 63 CONECT 31 32 32 64 CONECT 32 33 65 CONECT 33 34 34 66 CONECT 34 35 CONECT 35 36 36 37 CONECT 37 67 CONECT 38 39 39 68 CONECT 39 69 END