COMPND HMDB0249745 HETATM 1 C1 UNL 1 -4.383 -0.093 -1.016 1.00 0.00 C HETATM 2 C2 UNL 1 -3.900 0.399 0.106 1.00 0.00 C HETATM 3 C3 UNL 1 -3.938 1.829 0.351 1.00 0.00 C HETATM 4 C4 UNL 1 -4.400 2.780 -0.523 1.00 0.00 C HETATM 5 C5 UNL 1 -4.427 4.143 -0.209 1.00 0.00 C HETATM 6 C6 UNL 1 -3.983 4.589 1.013 1.00 0.00 C HETATM 7 C7 UNL 1 -3.515 3.657 1.907 1.00 0.00 C HETATM 8 C8 UNL 1 -3.492 2.319 1.590 1.00 0.00 C HETATM 9 C9 UNL 1 -3.265 -0.481 1.085 1.00 0.00 C HETATM 10 C10 UNL 1 -1.784 -0.233 1.235 1.00 0.00 C HETATM 11 C11 UNL 1 -1.096 0.694 0.497 1.00 0.00 C HETATM 12 C12 UNL 1 0.277 0.900 0.686 1.00 0.00 C HETATM 13 C13 UNL 1 0.995 0.187 1.613 1.00 0.00 C HETATM 14 O1 UNL 1 2.313 0.290 1.889 1.00 0.00 O HETATM 15 C14 UNL 1 3.338 1.050 1.404 1.00 0.00 C HETATM 16 C15 UNL 1 3.720 0.932 -0.015 1.00 0.00 C HETATM 17 N1 UNL 1 4.136 -0.362 -0.448 1.00 0.00 N HETATM 18 C16 UNL 1 4.498 -0.448 -1.817 1.00 0.00 C HETATM 19 C17 UNL 1 5.943 -0.719 -2.070 1.00 0.00 C HETATM 20 C18 UNL 1 6.818 -0.237 -0.940 1.00 0.00 C HETATM 21 C19 UNL 1 6.401 -0.931 0.314 1.00 0.00 C HETATM 22 C20 UNL 1 4.912 -1.123 0.449 1.00 0.00 C HETATM 23 C21 UNL 1 0.271 -0.758 2.359 1.00 0.00 C HETATM 24 C22 UNL 1 -1.077 -0.959 2.172 1.00 0.00 C HETATM 25 O2 UNL 1 -3.369 -1.862 0.803 1.00 0.00 O HETATM 26 C23 UNL 1 -3.856 -2.376 -0.364 1.00 0.00 C HETATM 27 C24 UNL 1 -3.801 -3.758 -0.545 1.00 0.00 C HETATM 28 C25 UNL 1 -4.288 -4.274 -1.712 1.00 0.00 C HETATM 29 C26 UNL 1 -4.818 -3.432 -2.675 1.00 0.00 C HETATM 30 C27 UNL 1 -4.865 -2.057 -2.477 1.00 0.00 C HETATM 31 C28 UNL 1 -4.375 -1.534 -1.303 1.00 0.00 C HETATM 32 H1 UNL 1 -4.816 0.513 -1.800 1.00 0.00 H HETATM 33 H2 UNL 1 -4.754 2.444 -1.495 1.00 0.00 H HETATM 34 H3 UNL 1 -4.803 4.838 -0.941 1.00 0.00 H HETATM 35 H4 UNL 1 -3.994 5.650 1.283 1.00 0.00 H HETATM 36 H5 UNL 1 -3.162 4.016 2.879 1.00 0.00 H HETATM 37 H6 UNL 1 -3.111 1.648 2.344 1.00 0.00 H HETATM 38 H7 UNL 1 -3.705 -0.320 2.093 1.00 0.00 H HETATM 39 H8 UNL 1 -1.626 1.270 -0.258 1.00 0.00 H HETATM 40 H9 UNL 1 0.783 1.629 0.106 1.00 0.00 H HETATM 41 H10 UNL 1 3.045 2.137 1.565 1.00 0.00 H HETATM 42 H11 UNL 1 4.223 0.937 2.081 1.00 0.00 H HETATM 43 H12 UNL 1 2.961 1.350 -0.686 1.00 0.00 H HETATM 44 H13 UNL 1 4.621 1.607 -0.164 1.00 0.00 H HETATM 45 H14 UNL 1 4.238 0.522 -2.308 1.00 0.00 H HETATM 46 H15 UNL 1 3.866 -1.221 -2.344 1.00 0.00 H HETATM 47 H16 UNL 1 6.162 -1.786 -2.293 1.00 0.00 H HETATM 48 H17 UNL 1 6.293 -0.163 -2.988 1.00 0.00 H HETATM 49 H18 UNL 1 7.875 -0.527 -1.147 1.00 0.00 H HETATM 50 H19 UNL 1 6.788 0.870 -0.879 1.00 0.00 H HETATM 51 H20 UNL 1 6.795 -0.359 1.193 1.00 0.00 H HETATM 52 H21 UNL 1 6.926 -1.914 0.354 1.00 0.00 H HETATM 53 H22 UNL 1 4.633 -0.963 1.484 1.00 0.00 H HETATM 54 H23 UNL 1 4.698 -2.214 0.239 1.00 0.00 H HETATM 55 H24 UNL 1 0.799 -1.353 3.113 1.00 0.00 H HETATM 56 H25 UNL 1 -1.641 -1.694 2.753 1.00 0.00 H HETATM 57 H26 UNL 1 -3.374 -4.389 0.240 1.00 0.00 H HETATM 58 H27 UNL 1 -4.241 -5.352 -1.845 1.00 0.00 H HETATM 59 H28 UNL 1 -5.187 -3.903 -3.575 1.00 0.00 H HETATM 60 H29 UNL 1 -5.280 -1.408 -3.232 1.00 0.00 H CONECT 1 2 2 31 32 CONECT 2 3 9 CONECT 3 4 4 8 CONECT 4 5 33 CONECT 5 6 6 34 CONECT 6 7 35 CONECT 7 8 8 36 CONECT 8 37 CONECT 9 10 25 38 CONECT 10 11 11 24 CONECT 11 12 39 CONECT 12 13 13 40 CONECT 13 14 23 CONECT 14 15 CONECT 15 16 41 42 CONECT 16 17 43 44 CONECT 17 18 22 CONECT 18 19 45 46 CONECT 19 20 47 48 CONECT 20 21 49 50 CONECT 21 22 51 52 CONECT 22 53 54 CONECT 23 24 24 55 CONECT 24 56 CONECT 25 26 CONECT 26 27 27 31 CONECT 27 28 57 CONECT 28 29 29 58 CONECT 29 30 59 CONECT 30 31 31 60 END