COMPND HMDB0014809 HETATM 1 C1 UNL 1 5.769 1.361 -1.412 1.00 0.00 C HETATM 2 C2 UNL 1 5.426 0.477 -0.482 1.00 0.00 C HETATM 3 C3 UNL 1 4.060 -0.013 -0.445 1.00 0.00 C HETATM 4 C4 UNL 1 3.695 -0.882 0.466 1.00 0.00 C HETATM 5 C5 UNL 1 4.596 -1.406 1.480 1.00 0.00 C HETATM 6 O1 UNL 1 4.131 -2.256 2.337 1.00 0.00 O HETATM 7 O2 UNL 1 5.917 -1.108 1.651 1.00 0.00 O HETATM 8 N1 UNL 1 2.343 -1.384 0.521 1.00 0.00 N HETATM 9 C6 UNL 1 1.252 -1.775 1.297 1.00 0.00 C HETATM 10 O3 UNL 1 1.037 -1.918 2.526 1.00 0.00 O HETATM 11 C7 UNL 1 0.354 -1.985 0.118 1.00 0.00 C HETATM 12 N2 UNL 1 -0.720 -0.997 0.018 1.00 0.00 N HETATM 13 C8 UNL 1 -2.061 -1.362 -0.160 1.00 0.00 C HETATM 14 O4 UNL 1 -2.259 -2.634 -0.227 1.00 0.00 O HETATM 15 C9 UNL 1 -3.206 -0.530 -0.273 1.00 0.00 C HETATM 16 N3 UNL 1 -3.076 0.753 -0.215 1.00 0.00 N HETATM 17 O5 UNL 1 -1.940 1.465 -0.051 1.00 0.00 O HETATM 18 C10 UNL 1 -1.811 2.421 0.985 1.00 0.00 C HETATM 19 C11 UNL 1 -0.482 3.071 0.962 1.00 0.00 C HETATM 20 O6 UNL 1 0.338 2.722 0.077 1.00 0.00 O HETATM 21 O7 UNL 1 -0.135 4.039 1.883 1.00 0.00 O HETATM 22 C12 UNL 1 -4.588 -1.103 -0.463 1.00 0.00 C HETATM 23 C13 UNL 1 -4.844 -2.439 -0.539 1.00 0.00 C HETATM 24 S1 UNL 1 -6.568 -2.448 -0.753 1.00 0.00 S HETATM 25 C14 UNL 1 -6.825 -0.764 -0.730 1.00 0.00 C HETATM 26 N4 UNL 1 -8.066 -0.028 -0.860 1.00 0.00 N HETATM 27 N5 UNL 1 -5.615 -0.299 -0.565 1.00 0.00 N HETATM 28 C15 UNL 1 1.572 -1.695 -0.688 1.00 0.00 C HETATM 29 S2 UNL 1 1.520 -0.109 -1.594 1.00 0.00 S HETATM 30 C16 UNL 1 3.164 0.568 -1.511 1.00 0.00 C HETATM 31 H1 UNL 1 5.073 1.718 -2.127 1.00 0.00 H HETATM 32 H2 UNL 1 6.782 1.765 -1.489 1.00 0.00 H HETATM 33 H3 UNL 1 6.171 0.177 0.185 1.00 0.00 H HETATM 34 H4 UNL 1 6.629 -1.821 1.520 1.00 0.00 H HETATM 35 H5 UNL 1 -0.072 -2.996 0.029 1.00 0.00 H HETATM 36 H6 UNL 1 -0.431 -0.013 0.087 1.00 0.00 H HETATM 37 H7 UNL 1 -1.911 1.933 1.995 1.00 0.00 H HETATM 38 H8 UNL 1 -2.636 3.174 0.950 1.00 0.00 H HETATM 39 H9 UNL 1 -0.238 3.879 2.870 1.00 0.00 H HETATM 40 H10 UNL 1 -4.197 -3.326 -0.487 1.00 0.00 H HETATM 41 H11 UNL 1 -8.225 0.592 -1.650 1.00 0.00 H HETATM 42 H12 UNL 1 -8.763 -0.170 -0.118 1.00 0.00 H HETATM 43 H13 UNL 1 1.962 -2.545 -1.249 1.00 0.00 H HETATM 44 H14 UNL 1 3.708 0.308 -2.469 1.00 0.00 H HETATM 45 H15 UNL 1 3.169 1.687 -1.402 1.00 0.00 H CONECT 1 2 2 31 32 CONECT 2 3 33 CONECT 3 4 4 30 CONECT 4 5 8 CONECT 5 6 6 7 CONECT 7 34 CONECT 8 9 28 CONECT 9 10 10 11 CONECT 11 12 28 35 CONECT 12 13 36 CONECT 13 14 14 15 CONECT 15 16 16 22 CONECT 16 17 CONECT 17 18 CONECT 18 19 37 38 CONECT 19 20 20 21 CONECT 21 39 CONECT 22 23 23 27 CONECT 23 24 40 CONECT 24 25 CONECT 25 26 27 27 CONECT 26 41 42 CONECT 28 29 43 CONECT 29 30 CONECT 30 44 45 END