COMPND HMDB0035463 HETATM 1 O1 UNL 1 -5.806 -1.761 0.885 1.00 0.00 O HETATM 2 C1 UNL 1 -5.808 -0.817 0.051 1.00 0.00 C HETATM 3 O2 UNL 1 -5.177 0.339 0.332 1.00 0.00 O HETATM 4 C2 UNL 1 -4.456 0.705 1.433 1.00 0.00 C HETATM 5 C3 UNL 1 -3.134 0.131 1.719 1.00 0.00 C HETATM 6 O3 UNL 1 -2.193 0.382 0.702 1.00 0.00 O HETATM 7 C4 UNL 1 -0.899 0.360 1.237 1.00 0.00 C HETATM 8 O4 UNL 1 -0.325 1.610 1.296 1.00 0.00 O HETATM 9 C5 UNL 1 0.904 2.080 0.996 1.00 0.00 C HETATM 10 C6 UNL 1 1.177 3.420 1.090 1.00 0.00 C HETATM 11 C7 UNL 1 2.433 3.985 0.797 1.00 0.00 C HETATM 12 O5 UNL 1 2.582 5.327 0.925 1.00 0.00 O HETATM 13 C8 UNL 1 3.447 3.167 0.395 1.00 0.00 C HETATM 14 C9 UNL 1 4.703 3.642 0.094 1.00 0.00 C HETATM 15 O6 UNL 1 5.005 4.846 0.163 1.00 0.00 O HETATM 16 C10 UNL 1 5.666 2.695 -0.307 1.00 0.00 C HETATM 17 O7 UNL 1 6.921 3.174 -0.605 1.00 0.00 O HETATM 18 C11 UNL 1 5.394 1.362 -0.402 1.00 0.00 C HETATM 19 C12 UNL 1 6.325 0.339 -0.801 1.00 0.00 C HETATM 20 C13 UNL 1 5.932 -1.016 -0.702 1.00 0.00 C HETATM 21 C14 UNL 1 6.723 -2.044 -1.067 1.00 0.00 C HETATM 22 O8 UNL 1 6.329 -3.393 -0.966 1.00 0.00 O HETATM 23 C15 UNL 1 8.002 -1.836 -1.577 1.00 0.00 C HETATM 24 O9 UNL 1 8.795 -2.909 -1.945 1.00 0.00 O HETATM 25 C16 UNL 1 8.422 -0.532 -1.690 1.00 0.00 C HETATM 26 O10 UNL 1 9.683 -0.279 -2.191 1.00 0.00 O HETATM 27 C17 UNL 1 7.578 0.521 -1.301 1.00 0.00 C HETATM 28 O11 UNL 1 4.164 1.006 -0.092 1.00 0.00 O HETATM 29 C18 UNL 1 3.210 1.807 0.288 1.00 0.00 C HETATM 30 C19 UNL 1 1.954 1.285 0.585 1.00 0.00 C HETATM 31 C20 UNL 1 -0.802 -0.324 2.582 1.00 0.00 C HETATM 32 O12 UNL 1 0.542 -0.794 2.677 1.00 0.00 O HETATM 33 C21 UNL 1 -1.631 -1.587 2.597 1.00 0.00 C HETATM 34 O13 UNL 1 -1.597 -2.159 3.850 1.00 0.00 O HETATM 35 C22 UNL 1 -3.080 -1.278 2.159 1.00 0.00 C HETATM 36 O14 UNL 1 -3.871 -1.462 3.275 1.00 0.00 O HETATM 37 C23 UNL 1 -6.528 -1.089 -1.198 1.00 0.00 C HETATM 38 C24 UNL 1 -6.656 -0.159 -2.192 1.00 0.00 C HETATM 39 C25 UNL 1 -7.323 -0.402 -3.403 1.00 0.00 C HETATM 40 O15 UNL 1 -7.400 0.600 -4.345 1.00 0.00 O HETATM 41 C26 UNL 1 -7.887 -1.635 -3.623 1.00 0.00 C HETATM 42 O16 UNL 1 -8.571 -1.955 -4.803 1.00 0.00 O HETATM 43 C27 UNL 1 -7.771 -2.588 -2.630 1.00 0.00 C HETATM 44 O17 UNL 1 -8.345 -3.848 -2.846 1.00 0.00 O HETATM 45 C28 UNL 1 -7.102 -2.326 -1.432 1.00 0.00 C HETATM 46 H1 UNL 1 -5.098 0.552 2.386 1.00 0.00 H HETATM 47 H2 UNL 1 -4.348 1.855 1.480 1.00 0.00 H HETATM 48 H3 UNL 1 -2.754 0.732 2.633 1.00 0.00 H HETATM 49 H4 UNL 1 -0.278 -0.272 0.553 1.00 0.00 H HETATM 50 H5 UNL 1 0.377 4.070 1.409 1.00 0.00 H HETATM 51 H6 UNL 1 3.334 5.897 0.778 1.00 0.00 H HETATM 52 H7 UNL 1 7.185 4.135 -0.551 1.00 0.00 H HETATM 53 H8 UNL 1 4.938 -1.208 -0.304 1.00 0.00 H HETATM 54 H9 UNL 1 5.408 -3.562 -0.596 1.00 0.00 H HETATM 55 H10 UNL 1 9.715 -2.816 -2.315 1.00 0.00 H HETATM 56 H11 UNL 1 9.985 0.679 -2.267 1.00 0.00 H HETATM 57 H12 UNL 1 7.966 1.507 -1.422 1.00 0.00 H HETATM 58 H13 UNL 1 1.835 0.233 0.485 1.00 0.00 H HETATM 59 H14 UNL 1 -1.008 0.367 3.409 1.00 0.00 H HETATM 60 H15 UNL 1 0.610 -1.437 3.398 1.00 0.00 H HETATM 61 H16 UNL 1 -1.201 -2.297 1.866 1.00 0.00 H HETATM 62 H17 UNL 1 -1.205 -3.065 3.878 1.00 0.00 H HETATM 63 H18 UNL 1 -3.322 -2.034 1.370 1.00 0.00 H HETATM 64 H19 UNL 1 -3.587 -2.214 3.839 1.00 0.00 H HETATM 65 H20 UNL 1 -6.209 0.821 -2.022 1.00 0.00 H HETATM 66 H21 UNL 1 -7.876 0.448 -5.204 1.00 0.00 H HETATM 67 H22 UNL 1 -8.711 -1.343 -5.578 1.00 0.00 H HETATM 68 H23 UNL 1 -8.255 -4.547 -2.107 1.00 0.00 H HETATM 69 H24 UNL 1 -7.030 -3.091 -0.687 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 37 CONECT 3 4 CONECT 4 5 46 47 CONECT 5 6 35 48 CONECT 6 7 CONECT 7 8 31 49 CONECT 8 9 CONECT 9 10 10 30 CONECT 10 11 50 CONECT 11 12 13 13 CONECT 12 51 CONECT 13 14 29 CONECT 14 15 15 16 CONECT 16 17 18 18 CONECT 17 52 CONECT 18 19 28 CONECT 19 20 20 27 CONECT 20 21 53 CONECT 21 22 23 23 CONECT 22 54 CONECT 23 24 25 CONECT 24 55 CONECT 25 26 27 27 CONECT 26 56 CONECT 27 57 CONECT 28 29 CONECT 29 30 30 CONECT 30 58 CONECT 31 32 33 59 CONECT 32 60 CONECT 33 34 35 61 CONECT 34 62 CONECT 35 36 63 CONECT 36 64 CONECT 37 38 38 45 CONECT 38 39 65 CONECT 39 40 41 41 CONECT 40 66 CONECT 41 42 43 CONECT 42 67 CONECT 43 44 45 45 CONECT 44 68 CONECT 45 69 END