COMPND HMDB0060824 HETATM 1 C1 UNL 1 -5.132 1.623 1.283 1.00 0.00 C HETATM 2 N1 UNL 1 -4.495 0.482 0.661 1.00 0.00 N HETATM 3 C2 UNL 1 -3.436 0.043 1.551 1.00 0.00 C HETATM 4 C3 UNL 1 -2.578 -1.027 0.926 1.00 0.00 C HETATM 5 C4 UNL 1 -2.131 -0.569 -0.396 1.00 0.00 C HETATM 6 C5 UNL 1 -1.190 0.539 -0.266 1.00 0.00 C HETATM 7 C6 UNL 1 -1.609 1.809 -0.233 1.00 0.00 C HETATM 8 C7 UNL 1 -0.601 2.743 -0.068 1.00 0.00 C HETATM 9 C8 UNL 1 0.738 2.326 0.049 1.00 0.00 C HETATM 10 C9 UNL 1 1.051 0.955 -0.004 1.00 0.00 C HETATM 11 O1 UNL 1 2.338 0.577 0.108 1.00 0.00 O HETATM 12 C10 UNL 1 2.945 -0.670 0.094 1.00 0.00 C HETATM 13 O2 UNL 1 3.659 -0.822 1.284 1.00 0.00 O HETATM 14 C11 UNL 1 4.493 0.262 1.529 1.00 0.00 C HETATM 15 C12 UNL 1 5.389 0.016 2.690 1.00 0.00 C HETATM 16 O3 UNL 1 6.196 0.925 3.017 1.00 0.00 O HETATM 17 O4 UNL 1 5.393 -1.140 3.432 1.00 0.00 O HETATM 18 C13 UNL 1 5.276 0.707 0.314 1.00 0.00 C HETATM 19 O5 UNL 1 4.642 1.775 -0.275 1.00 0.00 O HETATM 20 C14 UNL 1 5.312 -0.439 -0.669 1.00 0.00 C HETATM 21 O6 UNL 1 6.050 -0.076 -1.790 1.00 0.00 O HETATM 22 C15 UNL 1 3.897 -0.713 -1.104 1.00 0.00 C HETATM 23 O7 UNL 1 3.783 -1.988 -1.661 1.00 0.00 O HETATM 24 C16 UNL 1 0.058 0.004 -0.169 1.00 0.00 C HETATM 25 O8 UNL 1 -0.075 -1.397 -0.280 1.00 0.00 O HETATM 26 C17 UNL 1 -1.225 -1.551 -1.119 1.00 0.00 C HETATM 27 C18 UNL 1 -1.945 -2.779 -1.097 1.00 0.00 C HETATM 28 O9 UNL 1 -1.459 -3.834 -0.808 1.00 0.00 O HETATM 29 C19 UNL 1 -3.393 -2.750 -1.455 1.00 0.00 C HETATM 30 C20 UNL 1 -4.088 -1.458 -1.399 1.00 0.00 C HETATM 31 C21 UNL 1 -3.263 -0.228 -1.289 1.00 0.00 C HETATM 32 C22 UNL 1 -3.934 0.942 -0.609 1.00 0.00 C HETATM 33 C23 UNL 1 -3.048 2.118 -0.436 1.00 0.00 C HETATM 34 H1 UNL 1 -4.438 2.093 2.036 1.00 0.00 H HETATM 35 H2 UNL 1 -6.005 1.234 1.852 1.00 0.00 H HETATM 36 H3 UNL 1 -5.414 2.374 0.533 1.00 0.00 H HETATM 37 H4 UNL 1 -2.762 0.908 1.768 1.00 0.00 H HETATM 38 H5 UNL 1 -3.886 -0.321 2.475 1.00 0.00 H HETATM 39 H6 UNL 1 -3.055 -2.025 0.951 1.00 0.00 H HETATM 40 H7 UNL 1 -1.670 -1.107 1.588 1.00 0.00 H HETATM 41 H8 UNL 1 -0.865 3.788 -0.031 1.00 0.00 H HETATM 42 H9 UNL 1 1.535 3.045 0.179 1.00 0.00 H HETATM 43 H10 UNL 1 2.187 -1.454 -0.035 1.00 0.00 H HETATM 44 H11 UNL 1 3.838 1.107 1.823 1.00 0.00 H HETATM 45 H12 UNL 1 5.044 -1.996 3.047 1.00 0.00 H HETATM 46 H13 UNL 1 6.298 0.971 0.674 1.00 0.00 H HETATM 47 H14 UNL 1 4.422 2.507 0.357 1.00 0.00 H HETATM 48 H15 UNL 1 5.708 -1.368 -0.194 1.00 0.00 H HETATM 49 H16 UNL 1 6.939 -0.502 -1.705 1.00 0.00 H HETATM 50 H17 UNL 1 3.544 0.056 -1.814 1.00 0.00 H HETATM 51 H18 UNL 1 3.142 -1.915 -2.414 1.00 0.00 H HETATM 52 H19 UNL 1 -1.035 -1.195 -2.146 1.00 0.00 H HETATM 53 H20 UNL 1 -3.915 -3.471 -0.759 1.00 0.00 H HETATM 54 H21 UNL 1 -3.461 -3.255 -2.457 1.00 0.00 H HETATM 55 H22 UNL 1 -4.699 -1.354 -2.347 1.00 0.00 H HETATM 56 H23 UNL 1 -4.880 -1.420 -0.591 1.00 0.00 H HETATM 57 H24 UNL 1 -2.876 0.126 -2.278 1.00 0.00 H HETATM 58 H25 UNL 1 -4.800 1.231 -1.242 1.00 0.00 H HETATM 59 H26 UNL 1 -3.427 2.832 0.326 1.00 0.00 H HETATM 60 H27 UNL 1 -3.086 2.704 -1.403 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 32 CONECT 3 4 37 38 CONECT 4 5 39 40 CONECT 5 6 26 31 CONECT 6 7 7 24 CONECT 7 8 33 CONECT 8 9 9 41 CONECT 9 10 42 CONECT 10 11 24 24 CONECT 11 12 CONECT 12 13 22 43 CONECT 13 14 CONECT 14 15 18 44 CONECT 15 16 16 17 CONECT 17 45 CONECT 18 19 20 46 CONECT 19 47 CONECT 20 21 22 48 CONECT 21 49 CONECT 22 23 50 CONECT 23 51 CONECT 24 25 CONECT 25 26 CONECT 26 27 52 CONECT 27 28 28 29 CONECT 29 30 53 54 CONECT 30 31 55 56 CONECT 31 32 57 CONECT 32 33 58 CONECT 33 59 60 END