COMPND HMDB0011533 HETATM 1 C1 UNL 1 -7.959 -0.548 2.193 1.00 0.00 C HETATM 2 C2 UNL 1 -7.174 -0.848 0.939 1.00 0.00 C HETATM 3 C3 UNL 1 -5.825 -1.438 1.209 1.00 0.00 C HETATM 4 C4 UNL 1 -4.933 -0.555 2.025 1.00 0.00 C HETATM 5 C5 UNL 1 -4.642 0.765 1.417 1.00 0.00 C HETATM 6 C6 UNL 1 -3.955 0.690 0.074 1.00 0.00 C HETATM 7 C7 UNL 1 -2.626 -0.023 0.164 1.00 0.00 C HETATM 8 C8 UNL 1 -2.015 -0.055 -1.220 1.00 0.00 C HETATM 9 C9 UNL 1 -1.770 1.296 -1.809 1.00 0.00 C HETATM 10 C10 UNL 1 -0.851 2.113 -0.960 1.00 0.00 C HETATM 11 C11 UNL 1 0.477 1.416 -0.808 1.00 0.00 C HETATM 12 C12 UNL 1 1.089 1.222 -2.157 1.00 0.00 C HETATM 13 C13 UNL 1 2.452 0.557 -2.019 1.00 0.00 C HETATM 14 C14 UNL 1 2.301 -0.785 -1.370 1.00 0.00 C HETATM 15 C15 UNL 1 3.651 -1.447 -1.264 1.00 0.00 C HETATM 16 C16 UNL 1 4.538 -0.664 -0.401 1.00 0.00 C HETATM 17 O1 UNL 1 4.140 0.334 0.221 1.00 0.00 O HETATM 18 O2 UNL 1 5.863 -1.046 -0.269 1.00 0.00 O HETATM 19 C17 UNL 1 6.717 -0.299 0.559 1.00 0.00 C HETATM 20 C18 UNL 1 7.878 0.185 -0.289 1.00 0.00 C HETATM 21 O3 UNL 1 8.775 0.941 0.480 1.00 0.00 O HETATM 22 C19 UNL 1 7.247 -1.275 1.617 1.00 0.00 C HETATM 23 O4 UNL 1 6.173 -1.790 2.332 1.00 0.00 O HETATM 24 H1 UNL 1 -8.997 -0.286 1.886 1.00 0.00 H HETATM 25 H2 UNL 1 -8.037 -1.488 2.774 1.00 0.00 H HETATM 26 H3 UNL 1 -7.529 0.292 2.774 1.00 0.00 H HETATM 27 H4 UNL 1 -7.140 0.059 0.309 1.00 0.00 H HETATM 28 H5 UNL 1 -7.758 -1.601 0.366 1.00 0.00 H HETATM 29 H6 UNL 1 -5.396 -1.787 0.272 1.00 0.00 H HETATM 30 H7 UNL 1 -6.006 -2.365 1.830 1.00 0.00 H HETATM 31 H8 UNL 1 -3.965 -1.106 2.155 1.00 0.00 H HETATM 32 H9 UNL 1 -5.345 -0.413 3.024 1.00 0.00 H HETATM 33 H10 UNL 1 -3.927 1.297 2.099 1.00 0.00 H HETATM 34 H11 UNL 1 -5.536 1.418 1.369 1.00 0.00 H HETATM 35 H12 UNL 1 -4.542 0.205 -0.703 1.00 0.00 H HETATM 36 H13 UNL 1 -3.817 1.769 -0.231 1.00 0.00 H HETATM 37 H14 UNL 1 -2.872 -1.091 0.409 1.00 0.00 H HETATM 38 H15 UNL 1 -1.947 0.419 0.911 1.00 0.00 H HETATM 39 H16 UNL 1 -2.788 -0.569 -1.880 1.00 0.00 H HETATM 40 H17 UNL 1 -1.091 -0.656 -1.286 1.00 0.00 H HETATM 41 H18 UNL 1 -1.415 1.155 -2.844 1.00 0.00 H HETATM 42 H19 UNL 1 -2.715 1.889 -1.921 1.00 0.00 H HETATM 43 H20 UNL 1 -1.320 2.323 0.038 1.00 0.00 H HETATM 44 H21 UNL 1 -0.662 3.116 -1.448 1.00 0.00 H HETATM 45 H22 UNL 1 1.151 1.973 -0.112 1.00 0.00 H HETATM 46 H23 UNL 1 0.257 0.446 -0.320 1.00 0.00 H HETATM 47 H24 UNL 1 1.210 2.172 -2.711 1.00 0.00 H HETATM 48 H25 UNL 1 0.471 0.534 -2.788 1.00 0.00 H HETATM 49 H26 UNL 1 3.114 1.261 -1.518 1.00 0.00 H HETATM 50 H27 UNL 1 2.840 0.457 -3.075 1.00 0.00 H HETATM 51 H28 UNL 1 1.665 -1.461 -1.976 1.00 0.00 H HETATM 52 H29 UNL 1 1.852 -0.678 -0.357 1.00 0.00 H HETATM 53 H30 UNL 1 3.527 -2.471 -0.824 1.00 0.00 H HETATM 54 H31 UNL 1 4.104 -1.586 -2.272 1.00 0.00 H HETATM 55 H32 UNL 1 6.168 0.531 1.007 1.00 0.00 H HETATM 56 H33 UNL 1 7.482 0.820 -1.096 1.00 0.00 H HETATM 57 H34 UNL 1 8.411 -0.700 -0.685 1.00 0.00 H HETATM 58 H35 UNL 1 9.427 1.345 -0.142 1.00 0.00 H HETATM 59 H36 UNL 1 7.754 -2.085 1.044 1.00 0.00 H HETATM 60 H37 UNL 1 7.949 -0.755 2.303 1.00 0.00 H HETATM 61 H38 UNL 1 5.871 -1.092 2.958 1.00 0.00 H CONECT 1 2 24 25 26 CONECT 2 3 27 28 CONECT 3 4 29 30 CONECT 4 5 31 32 CONECT 5 6 33 34 CONECT 6 7 35 36 CONECT 7 8 37 38 CONECT 8 9 39 40 CONECT 9 10 41 42 CONECT 10 11 43 44 CONECT 11 12 45 46 CONECT 12 13 47 48 CONECT 13 14 49 50 CONECT 14 15 51 52 CONECT 15 16 53 54 CONECT 16 17 17 18 CONECT 18 19 CONECT 19 20 22 55 CONECT 20 21 56 57 CONECT 21 58 CONECT 22 23 59 60 CONECT 23 61 END