COMPND HMDB0251094 HETATM 1 C1 UNL 1 -3.156 -2.217 -0.347 1.00 0.00 C HETATM 2 O1 UNL 1 -3.139 -0.941 0.211 1.00 0.00 O HETATM 3 C2 UNL 1 -4.246 -0.727 1.027 1.00 0.00 C HETATM 4 C3 UNL 1 -4.215 0.664 1.627 1.00 0.00 C HETATM 5 C4 UNL 1 -4.222 1.727 0.555 1.00 0.00 C HETATM 6 O2 UNL 1 -3.150 1.607 -0.268 1.00 0.00 O HETATM 7 C5 UNL 1 -1.801 1.692 -0.122 1.00 0.00 C HETATM 8 C6 UNL 1 -1.118 1.972 1.041 1.00 0.00 C HETATM 9 C7 UNL 1 0.274 2.025 1.022 1.00 0.00 C HETATM 10 N1 UNL 1 0.980 1.808 -0.116 1.00 0.00 N HETATM 11 C8 UNL 1 0.345 1.533 -1.268 1.00 0.00 C HETATM 12 C9 UNL 1 1.120 1.297 -2.511 1.00 0.00 C HETATM 13 S1 UNL 1 2.888 1.436 -2.207 1.00 0.00 S HETATM 14 O3 UNL 1 3.685 1.368 -3.483 1.00 0.00 O HETATM 15 C10 UNL 1 3.440 0.274 -1.018 1.00 0.00 C HETATM 16 N2 UNL 1 3.477 0.520 0.312 1.00 0.00 N HETATM 17 C11 UNL 1 3.940 -0.539 0.972 1.00 0.00 C HETATM 18 C12 UNL 1 4.150 -0.751 2.313 1.00 0.00 C HETATM 19 C13 UNL 1 4.647 -1.968 2.723 1.00 0.00 C HETATM 20 C14 UNL 1 4.933 -2.967 1.802 1.00 0.00 C HETATM 21 C15 UNL 1 4.707 -2.707 0.481 1.00 0.00 C HETATM 22 C16 UNL 1 4.211 -1.507 0.016 1.00 0.00 C HETATM 23 N3 UNL 1 3.896 -0.981 -1.182 1.00 0.00 N HETATM 24 C17 UNL 1 -1.020 1.478 -1.264 1.00 0.00 C HETATM 25 C18 UNL 1 -1.702 1.177 -2.527 1.00 0.00 C HETATM 26 H1 UNL 1 -2.284 -2.402 -0.997 1.00 0.00 H HETATM 27 H2 UNL 1 -4.062 -2.367 -0.984 1.00 0.00 H HETATM 28 H3 UNL 1 -3.194 -2.965 0.457 1.00 0.00 H HETATM 29 H4 UNL 1 -5.188 -0.943 0.514 1.00 0.00 H HETATM 30 H5 UNL 1 -4.155 -1.453 1.868 1.00 0.00 H HETATM 31 H6 UNL 1 -3.428 0.772 2.381 1.00 0.00 H HETATM 32 H7 UNL 1 -5.181 0.800 2.193 1.00 0.00 H HETATM 33 H8 UNL 1 -4.343 2.741 1.009 1.00 0.00 H HETATM 34 H9 UNL 1 -5.165 1.529 -0.045 1.00 0.00 H HETATM 35 H10 UNL 1 -1.665 2.160 1.949 1.00 0.00 H HETATM 36 H11 UNL 1 0.788 2.247 1.955 1.00 0.00 H HETATM 37 H12 UNL 1 0.818 1.986 -3.300 1.00 0.00 H HETATM 38 H13 UNL 1 0.872 0.245 -2.829 1.00 0.00 H HETATM 39 H14 UNL 1 3.945 -0.010 3.073 1.00 0.00 H HETATM 40 H15 UNL 1 4.815 -2.137 3.792 1.00 0.00 H HETATM 41 H16 UNL 1 5.327 -3.920 2.172 1.00 0.00 H HETATM 42 H17 UNL 1 4.923 -3.473 -0.249 1.00 0.00 H HETATM 43 H18 UNL 1 3.988 -1.462 -2.091 1.00 0.00 H HETATM 44 H19 UNL 1 -1.689 2.094 -3.166 1.00 0.00 H HETATM 45 H20 UNL 1 -2.794 0.938 -2.389 1.00 0.00 H HETATM 46 H21 UNL 1 -1.254 0.347 -3.099 1.00 0.00 H CONECT 1 2 26 27 28 CONECT 2 3 CONECT 3 4 29 30 CONECT 4 5 31 32 CONECT 5 6 33 34 CONECT 6 7 CONECT 7 8 8 24 CONECT 8 9 35 CONECT 9 10 10 36 CONECT 10 11 CONECT 11 12 24 24 CONECT 12 13 37 38 CONECT 13 14 14 15 CONECT 15 16 16 23 CONECT 16 17 CONECT 17 18 18 22 CONECT 18 19 39 CONECT 19 20 20 40 CONECT 20 21 41 CONECT 21 22 22 42 CONECT 22 23 CONECT 23 43 CONECT 24 25 CONECT 25 44 45 46 END