COMPND HMDB0037551 HETATM 1 O1 UNL 1 5.153 -2.940 -0.898 1.00 0.00 O HETATM 2 C1 UNL 1 4.037 -2.364 -0.982 1.00 0.00 C HETATM 3 O2 UNL 1 2.945 -2.711 -1.810 1.00 0.00 O HETATM 4 C2 UNL 1 2.186 -1.550 -1.901 1.00 0.00 C HETATM 5 C3 UNL 1 0.755 -1.676 -2.225 1.00 0.00 C HETATM 6 O3 UNL 1 0.525 -1.031 -3.458 1.00 0.00 O HETATM 7 C4 UNL 1 -0.173 -1.050 -1.228 1.00 0.00 C HETATM 8 O4 UNL 1 -0.575 -2.079 -0.367 1.00 0.00 O HETATM 9 C5 UNL 1 0.349 0.071 -0.425 1.00 0.00 C HETATM 10 C6 UNL 1 -0.287 1.391 -0.884 1.00 0.00 C HETATM 11 O5 UNL 1 -1.634 1.344 -0.841 1.00 0.00 O HETATM 12 C7 UNL 1 -2.259 1.123 0.354 1.00 0.00 C HETATM 13 O6 UNL 1 -2.869 -0.115 0.312 1.00 0.00 O HETATM 14 C8 UNL 1 -4.022 -0.109 -0.458 1.00 0.00 C HETATM 15 C9 UNL 1 -4.462 -1.488 -0.822 1.00 0.00 C HETATM 16 O7 UNL 1 -4.729 -2.257 0.316 1.00 0.00 O HETATM 17 C10 UNL 1 -5.110 0.655 0.281 1.00 0.00 C HETATM 18 O8 UNL 1 -5.855 1.392 -0.605 1.00 0.00 O HETATM 19 C11 UNL 1 -4.489 1.577 1.311 1.00 0.00 C HETATM 20 O9 UNL 1 -4.333 0.947 2.544 1.00 0.00 O HETATM 21 C12 UNL 1 -3.189 2.168 0.813 1.00 0.00 C HETATM 22 O10 UNL 1 -2.665 2.890 1.913 1.00 0.00 O HETATM 23 O11 UNL 1 1.761 0.205 -0.486 1.00 0.00 O HETATM 24 C13 UNL 1 2.261 -1.064 -0.440 1.00 0.00 C HETATM 25 N1 UNL 1 3.666 -1.206 -0.217 1.00 0.00 N HETATM 26 C14 UNL 1 4.452 -0.357 0.592 1.00 0.00 C HETATM 27 C15 UNL 1 3.992 0.052 1.834 1.00 0.00 C HETATM 28 C16 UNL 1 4.736 0.888 2.662 1.00 0.00 C HETATM 29 C17 UNL 1 5.974 1.336 2.252 1.00 0.00 C HETATM 30 C18 UNL 1 6.445 0.945 1.034 1.00 0.00 C HETATM 31 C19 UNL 1 5.705 0.120 0.223 1.00 0.00 C HETATM 32 O12 UNL 1 6.209 -0.260 -1.010 1.00 0.00 O HETATM 33 H1 UNL 1 2.719 -0.789 -2.514 1.00 0.00 H HETATM 34 H2 UNL 1 0.501 -2.756 -2.412 1.00 0.00 H HETATM 35 H3 UNL 1 1.083 -0.197 -3.412 1.00 0.00 H HETATM 36 H4 UNL 1 -1.127 -0.712 -1.721 1.00 0.00 H HETATM 37 H5 UNL 1 -1.130 -2.735 -0.884 1.00 0.00 H HETATM 38 H6 UNL 1 0.161 -0.120 0.652 1.00 0.00 H HETATM 39 H7 UNL 1 0.188 2.234 -0.348 1.00 0.00 H HETATM 40 H8 UNL 1 0.017 1.505 -1.952 1.00 0.00 H HETATM 41 H9 UNL 1 -1.429 1.024 1.119 1.00 0.00 H HETATM 42 H10 UNL 1 -3.809 0.457 -1.385 1.00 0.00 H HETATM 43 H11 UNL 1 -5.400 -1.485 -1.429 1.00 0.00 H HETATM 44 H12 UNL 1 -3.720 -2.036 -1.430 1.00 0.00 H HETATM 45 H13 UNL 1 -5.630 -2.639 0.301 1.00 0.00 H HETATM 46 H14 UNL 1 -5.720 -0.090 0.820 1.00 0.00 H HETATM 47 H15 UNL 1 -5.511 2.325 -0.595 1.00 0.00 H HETATM 48 H16 UNL 1 -5.204 2.412 1.467 1.00 0.00 H HETATM 49 H17 UNL 1 -5.030 1.156 3.188 1.00 0.00 H HETATM 50 H18 UNL 1 -3.477 2.867 -0.005 1.00 0.00 H HETATM 51 H19 UNL 1 -2.166 2.201 2.437 1.00 0.00 H HETATM 52 H20 UNL 1 1.665 -1.764 0.195 1.00 0.00 H HETATM 53 H21 UNL 1 3.016 -0.263 2.227 1.00 0.00 H HETATM 54 H22 UNL 1 4.386 1.214 3.632 1.00 0.00 H HETATM 55 H23 UNL 1 6.586 1.987 2.863 1.00 0.00 H HETATM 56 H24 UNL 1 7.415 1.290 0.703 1.00 0.00 H HETATM 57 H25 UNL 1 7.116 0.066 -1.312 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 25 CONECT 3 4 CONECT 4 5 24 33 CONECT 5 6 7 34 CONECT 6 35 CONECT 7 8 9 36 CONECT 8 37 CONECT 9 10 23 38 CONECT 10 11 39 40 CONECT 11 12 CONECT 12 13 21 41 CONECT 13 14 CONECT 14 15 17 42 CONECT 15 16 43 44 CONECT 16 45 CONECT 17 18 19 46 CONECT 18 47 CONECT 19 20 21 48 CONECT 20 49 CONECT 21 22 50 CONECT 22 51 CONECT 23 24 CONECT 24 25 52 CONECT 25 26 CONECT 26 27 27 31 CONECT 27 28 53 CONECT 28 29 29 54 CONECT 29 30 55 CONECT 30 31 31 56 CONECT 31 32 CONECT 32 57 END