COMPND HMDB0038819 HETATM 1 C1 UNL 1 -0.538 4.463 0.530 1.00 0.00 C HETATM 2 O1 UNL 1 -1.907 4.469 0.305 1.00 0.00 O HETATM 3 C2 UNL 1 -2.693 3.449 -0.170 1.00 0.00 C HETATM 4 C3 UNL 1 -2.200 2.179 -0.513 1.00 0.00 C HETATM 5 C4 UNL 1 -2.954 1.169 -0.980 1.00 0.00 C HETATM 6 C5 UNL 1 -2.455 -0.153 -1.293 1.00 0.00 C HETATM 7 O2 UNL 1 -3.258 -0.931 -2.036 1.00 0.00 O HETATM 8 C6 UNL 1 -2.982 -2.135 -2.418 1.00 0.00 C HETATM 9 C7 UNL 1 -3.935 -2.805 -3.191 1.00 0.00 C HETATM 10 C8 UNL 1 -3.686 -4.081 -3.619 1.00 0.00 C HETATM 11 O3 UNL 1 -4.619 -4.792 -4.398 1.00 0.00 O HETATM 12 C9 UNL 1 -2.495 -4.650 -3.264 1.00 0.00 C HETATM 13 C10 UNL 1 -1.523 -3.994 -2.488 1.00 0.00 C HETATM 14 O4 UNL 1 -0.366 -4.621 -2.174 1.00 0.00 O HETATM 15 C11 UNL 1 -1.795 -2.715 -2.070 1.00 0.00 C HETATM 16 C12 UNL 1 -0.932 -1.968 -1.307 1.00 0.00 C HETATM 17 O5 UNL 1 0.168 -2.429 -0.952 1.00 0.00 O HETATM 18 C13 UNL 1 -1.249 -0.664 -0.900 1.00 0.00 C HETATM 19 O6 UNL 1 -0.338 0.043 -0.107 1.00 0.00 O HETATM 20 C14 UNL 1 -0.287 -0.137 1.291 1.00 0.00 C HETATM 21 O7 UNL 1 -0.800 0.922 1.991 1.00 0.00 O HETATM 22 C15 UNL 1 -1.097 0.413 3.278 1.00 0.00 C HETATM 23 C16 UNL 1 -1.878 1.455 4.064 1.00 0.00 C HETATM 24 C17 UNL 1 0.199 0.198 3.978 1.00 0.00 C HETATM 25 O8 UNL 1 -0.084 -0.381 5.226 1.00 0.00 O HETATM 26 C18 UNL 1 1.190 -0.663 3.240 1.00 0.00 C HETATM 27 O9 UNL 1 0.932 -1.990 3.587 1.00 0.00 O HETATM 28 C19 UNL 1 1.115 -0.494 1.745 1.00 0.00 C HETATM 29 O10 UNL 1 1.947 0.494 1.271 1.00 0.00 O HETATM 30 C20 UNL 1 2.888 0.084 0.342 1.00 0.00 C HETATM 31 O11 UNL 1 2.648 0.791 -0.857 1.00 0.00 O HETATM 32 C21 UNL 1 3.461 0.368 -1.896 1.00 0.00 C HETATM 33 C22 UNL 1 2.819 -0.666 -2.781 1.00 0.00 C HETATM 34 C23 UNL 1 4.808 -0.098 -1.459 1.00 0.00 C HETATM 35 O12 UNL 1 4.886 -1.508 -1.388 1.00 0.00 O HETATM 36 C24 UNL 1 5.285 0.542 -0.191 1.00 0.00 C HETATM 37 O13 UNL 1 6.417 -0.119 0.279 1.00 0.00 O HETATM 38 C25 UNL 1 4.224 0.569 0.853 1.00 0.00 C HETATM 39 O14 UNL 1 4.010 1.887 1.316 1.00 0.00 O HETATM 40 C26 UNL 1 -4.319 1.421 -1.127 1.00 0.00 C HETATM 41 C27 UNL 1 -4.872 2.642 -0.810 1.00 0.00 C HETATM 42 C28 UNL 1 -4.052 3.632 -0.338 1.00 0.00 C HETATM 43 O15 UNL 1 -4.648 4.858 -0.027 1.00 0.00 O HETATM 44 H1 UNL 1 -0.047 3.769 -0.175 1.00 0.00 H HETATM 45 H2 UNL 1 -0.303 4.231 1.599 1.00 0.00 H HETATM 46 H3 UNL 1 -0.053 5.450 0.344 1.00 0.00 H HETATM 47 H4 UNL 1 -1.133 2.086 -0.388 1.00 0.00 H HETATM 48 H5 UNL 1 -4.878 -2.339 -3.467 1.00 0.00 H HETATM 49 H6 UNL 1 -5.286 -5.338 -3.858 1.00 0.00 H HETATM 50 H7 UNL 1 -2.286 -5.666 -3.599 1.00 0.00 H HETATM 51 H8 UNL 1 0.438 -4.439 -1.689 1.00 0.00 H HETATM 52 H9 UNL 1 -0.973 -1.009 1.525 1.00 0.00 H HETATM 53 H10 UNL 1 -1.697 -0.517 3.160 1.00 0.00 H HETATM 54 H11 UNL 1 -2.854 1.028 4.378 1.00 0.00 H HETATM 55 H12 UNL 1 -1.349 1.754 4.994 1.00 0.00 H HETATM 56 H13 UNL 1 -1.993 2.398 3.479 1.00 0.00 H HETATM 57 H14 UNL 1 0.643 1.206 4.176 1.00 0.00 H HETATM 58 H15 UNL 1 0.207 -1.326 5.271 1.00 0.00 H HETATM 59 H16 UNL 1 2.192 -0.419 3.654 1.00 0.00 H HETATM 60 H17 UNL 1 1.684 -2.518 3.240 1.00 0.00 H HETATM 61 H18 UNL 1 1.388 -1.443 1.261 1.00 0.00 H HETATM 62 H19 UNL 1 2.868 -0.976 0.087 1.00 0.00 H HETATM 63 H20 UNL 1 3.609 1.285 -2.539 1.00 0.00 H HETATM 64 H21 UNL 1 3.299 -0.561 -3.789 1.00 0.00 H HETATM 65 H22 UNL 1 3.011 -1.695 -2.463 1.00 0.00 H HETATM 66 H23 UNL 1 1.725 -0.446 -2.938 1.00 0.00 H HETATM 67 H24 UNL 1 5.542 0.182 -2.255 1.00 0.00 H HETATM 68 H25 UNL 1 5.811 -1.807 -1.307 1.00 0.00 H HETATM 69 H26 UNL 1 5.553 1.608 -0.453 1.00 0.00 H HETATM 70 H27 UNL 1 6.984 0.599 0.706 1.00 0.00 H HETATM 71 H28 UNL 1 4.560 0.003 1.745 1.00 0.00 H HETATM 72 H29 UNL 1 4.861 2.355 1.331 1.00 0.00 H HETATM 73 H30 UNL 1 -4.992 0.652 -1.503 1.00 0.00 H HETATM 74 H31 UNL 1 -5.943 2.809 -0.935 1.00 0.00 H HETATM 75 H32 UNL 1 -5.622 5.032 -0.130 1.00 0.00 H CONECT 1 2 44 45 46 CONECT 2 3 CONECT 3 4 4 42 CONECT 4 5 47 CONECT 5 6 40 40 CONECT 6 7 18 18 CONECT 7 8 CONECT 8 9 9 15 CONECT 9 10 48 CONECT 10 11 12 12 CONECT 11 49 CONECT 12 13 50 CONECT 13 14 15 15 CONECT 14 51 CONECT 15 16 CONECT 16 17 17 18 CONECT 18 19 CONECT 19 20 CONECT 20 21 28 52 CONECT 21 22 CONECT 22 23 24 53 CONECT 23 54 55 56 CONECT 24 25 26 57 CONECT 25 58 CONECT 26 27 28 59 CONECT 27 60 CONECT 28 29 61 CONECT 29 30 CONECT 30 31 38 62 CONECT 31 32 CONECT 32 33 34 63 CONECT 33 64 65 66 CONECT 34 35 36 67 CONECT 35 68 CONECT 36 37 38 69 CONECT 37 70 CONECT 38 39 71 CONECT 39 72 CONECT 40 41 73 CONECT 41 42 42 74 CONECT 42 43 CONECT 43 75 END