COMPND HMDB0041990 HETATM 1 N1 UNL 1 3.432 2.332 -2.033 1.00 0.00 N HETATM 2 C1 UNL 1 3.439 1.397 -1.353 1.00 0.00 C HETATM 3 C2 UNL 1 3.445 0.185 -0.496 1.00 0.00 C HETATM 4 C3 UNL 1 2.033 -0.279 -0.365 1.00 0.00 C HETATM 5 C4 UNL 1 1.134 0.772 0.262 1.00 0.00 C HETATM 6 N2 UNL 1 -0.187 0.259 0.357 1.00 0.00 N HETATM 7 C5 UNL 1 -0.813 0.091 -0.910 1.00 0.00 C HETATM 8 C6 UNL 1 -2.069 0.881 -1.114 1.00 0.00 C HETATM 9 C7 UNL 1 -3.093 0.779 -0.032 1.00 0.00 C HETATM 10 C8 UNL 1 -3.595 2.170 0.228 1.00 0.00 C HETATM 11 N3 UNL 1 -3.527 2.781 1.325 1.00 0.00 N HETATM 12 O1 UNL 1 -4.186 2.812 -0.870 1.00 0.00 O HETATM 13 N4 UNL 1 -4.227 0.012 -0.404 1.00 0.00 N HETATM 14 C9 UNL 1 -4.104 -1.327 -0.717 1.00 0.00 C HETATM 15 C10 UNL 1 -5.087 -2.263 -0.060 1.00 0.00 C HETATM 16 C11 UNL 1 -6.010 -1.532 0.892 1.00 0.00 C HETATM 17 C12 UNL 1 -6.586 -0.375 0.132 1.00 0.00 C HETATM 18 C13 UNL 1 -5.493 0.591 -0.195 1.00 0.00 C HETATM 19 C14 UNL 1 -2.428 0.309 1.235 1.00 0.00 C HETATM 20 C15 UNL 1 -1.043 0.970 1.290 1.00 0.00 C HETATM 21 C16 UNL 1 4.029 0.579 0.797 1.00 0.00 C HETATM 22 C17 UNL 1 5.049 1.509 0.846 1.00 0.00 C HETATM 23 C18 UNL 1 5.573 1.845 2.067 1.00 0.00 C HETATM 24 C19 UNL 1 5.107 1.278 3.240 1.00 0.00 C HETATM 25 C20 UNL 1 4.093 0.355 3.184 1.00 0.00 C HETATM 26 C21 UNL 1 3.563 0.015 1.946 1.00 0.00 C HETATM 27 C22 UNL 1 4.239 -0.867 -1.188 1.00 0.00 C HETATM 28 C23 UNL 1 4.389 -2.128 -0.675 1.00 0.00 C HETATM 29 C24 UNL 1 5.134 -3.053 -1.357 1.00 0.00 C HETATM 30 C25 UNL 1 5.742 -2.742 -2.558 1.00 0.00 C HETATM 31 C26 UNL 1 5.601 -1.478 -3.086 1.00 0.00 C HETATM 32 C27 UNL 1 4.848 -0.562 -2.385 1.00 0.00 C HETATM 33 H1 UNL 1 1.612 -0.558 -1.376 1.00 0.00 H HETATM 34 H2 UNL 1 2.025 -1.237 0.194 1.00 0.00 H HETATM 35 H3 UNL 1 1.546 1.180 1.185 1.00 0.00 H HETATM 36 H4 UNL 1 1.126 1.643 -0.459 1.00 0.00 H HETATM 37 H5 UNL 1 -0.920 -1.000 -1.085 1.00 0.00 H HETATM 38 H6 UNL 1 -0.091 0.461 -1.683 1.00 0.00 H HETATM 39 H7 UNL 1 -2.461 0.599 -2.115 1.00 0.00 H HETATM 40 H8 UNL 1 -1.730 1.951 -1.256 1.00 0.00 H HETATM 41 H9 UNL 1 -3.153 2.524 2.233 1.00 0.00 H HETATM 42 H10 UNL 1 -3.876 2.635 -1.815 1.00 0.00 H HETATM 43 H11 UNL 1 -4.168 -1.457 -1.838 1.00 0.00 H HETATM 44 H12 UNL 1 -3.098 -1.715 -0.455 1.00 0.00 H HETATM 45 H13 UNL 1 -5.728 -2.726 -0.838 1.00 0.00 H HETATM 46 H14 UNL 1 -4.610 -3.081 0.506 1.00 0.00 H HETATM 47 H15 UNL 1 -5.466 -1.123 1.764 1.00 0.00 H HETATM 48 H16 UNL 1 -6.762 -2.251 1.254 1.00 0.00 H HETATM 49 H17 UNL 1 -7.375 0.092 0.732 1.00 0.00 H HETATM 50 H18 UNL 1 -7.069 -0.800 -0.787 1.00 0.00 H HETATM 51 H19 UNL 1 -5.800 1.143 -1.108 1.00 0.00 H HETATM 52 H20 UNL 1 -5.429 1.334 0.631 1.00 0.00 H HETATM 53 H21 UNL 1 -2.320 -0.796 1.173 1.00 0.00 H HETATM 54 H22 UNL 1 -2.995 0.531 2.134 1.00 0.00 H HETATM 55 H23 UNL 1 -0.623 0.813 2.303 1.00 0.00 H HETATM 56 H24 UNL 1 -1.159 2.024 1.025 1.00 0.00 H HETATM 57 H25 UNL 1 5.398 1.940 -0.088 1.00 0.00 H HETATM 58 H26 UNL 1 6.373 2.569 2.141 1.00 0.00 H HETATM 59 H27 UNL 1 5.502 1.526 4.213 1.00 0.00 H HETATM 60 H28 UNL 1 3.732 -0.084 4.085 1.00 0.00 H HETATM 61 H29 UNL 1 2.761 -0.728 1.999 1.00 0.00 H HETATM 62 H30 UNL 1 3.920 -2.390 0.264 1.00 0.00 H HETATM 63 H31 UNL 1 5.269 -4.081 -0.963 1.00 0.00 H HETATM 64 H32 UNL 1 6.339 -3.479 -3.105 1.00 0.00 H HETATM 65 H33 UNL 1 6.083 -1.225 -4.042 1.00 0.00 H HETATM 66 H34 UNL 1 4.746 0.449 -2.824 1.00 0.00 H CONECT 1 2 2 2 CONECT 2 3 CONECT 3 4 21 27 CONECT 4 5 33 34 CONECT 5 6 35 36 CONECT 6 7 20 CONECT 7 8 37 38 CONECT 8 9 39 40 CONECT 9 10 13 19 CONECT 10 11 11 12 CONECT 11 41 CONECT 12 42 CONECT 13 14 18 CONECT 14 15 43 44 CONECT 15 16 45 46 CONECT 16 17 47 48 CONECT 17 18 49 50 CONECT 18 51 52 CONECT 19 20 53 54 CONECT 20 55 56 CONECT 21 22 22 26 CONECT 22 23 57 CONECT 23 24 24 58 CONECT 24 25 59 CONECT 25 26 26 60 CONECT 26 61 CONECT 27 28 28 32 CONECT 28 29 62 CONECT 29 30 30 63 CONECT 30 31 64 CONECT 31 32 32 65 CONECT 32 66 END