COMPND HMDB0031930 HETATM 1 C1 UNL 1 4.008 3.145 -0.083 1.00 0.00 C HETATM 2 C2 UNL 1 3.264 1.860 0.010 1.00 0.00 C HETATM 3 C3 UNL 1 4.003 0.708 0.190 1.00 0.00 C HETATM 4 C4 UNL 1 3.315 -0.477 0.276 1.00 0.00 C HETATM 5 C5 UNL 1 1.921 -0.561 0.190 1.00 0.00 C HETATM 6 C6 UNL 1 1.229 0.631 0.009 1.00 0.00 C HETATM 7 C7 UNL 1 1.885 1.830 -0.080 1.00 0.00 C HETATM 8 C8 UNL 1 -0.234 0.539 -0.080 1.00 0.00 C HETATM 9 C9 UNL 1 -0.834 -0.708 0.019 1.00 0.00 C HETATM 10 C10 UNL 1 -2.221 -0.778 -0.068 1.00 0.00 C HETATM 11 C11 UNL 1 -2.803 -2.020 0.031 1.00 0.00 C HETATM 12 C12 UNL 1 -4.164 -2.130 -0.049 1.00 0.00 C HETATM 13 C13 UNL 1 -4.939 -0.984 -0.231 1.00 0.00 C HETATM 14 C14 UNL 1 -4.320 0.243 -0.326 1.00 0.00 C HETATM 15 C15 UNL 1 -2.952 0.373 -0.247 1.00 0.00 C HETATM 16 N1 UNL 1 -2.341 1.561 -0.339 1.00 0.00 N HETATM 17 C16 UNL 1 -3.157 2.733 -0.526 1.00 0.00 C HETATM 18 C17 UNL 1 -0.971 1.671 -0.258 1.00 0.00 C HETATM 19 O1 UNL 1 -0.474 2.799 -0.350 1.00 0.00 O HETATM 20 O2 UNL 1 -0.115 -1.837 0.194 1.00 0.00 O HETATM 21 C18 UNL 1 1.261 -1.885 0.294 1.00 0.00 C HETATM 22 C19 UNL 1 1.777 -2.795 -0.814 1.00 0.00 C HETATM 23 C20 UNL 1 1.566 -2.534 1.645 1.00 0.00 C HETATM 24 H1 UNL 1 3.349 3.922 0.370 1.00 0.00 H HETATM 25 H2 UNL 1 4.965 3.116 0.472 1.00 0.00 H HETATM 26 H3 UNL 1 4.159 3.437 -1.152 1.00 0.00 H HETATM 27 H4 UNL 1 5.082 0.720 0.262 1.00 0.00 H HETATM 28 H5 UNL 1 3.837 -1.436 0.419 1.00 0.00 H HETATM 29 H6 UNL 1 1.413 2.769 -0.218 1.00 0.00 H HETATM 30 H7 UNL 1 -2.187 -2.904 0.173 1.00 0.00 H HETATM 31 H8 UNL 1 -4.607 -3.116 0.031 1.00 0.00 H HETATM 32 H9 UNL 1 -6.014 -1.084 -0.293 1.00 0.00 H HETATM 33 H10 UNL 1 -4.928 1.124 -0.466 1.00 0.00 H HETATM 34 H11 UNL 1 -2.599 3.677 -0.442 1.00 0.00 H HETATM 35 H12 UNL 1 -3.927 2.746 0.274 1.00 0.00 H HETATM 36 H13 UNL 1 -3.710 2.718 -1.485 1.00 0.00 H HETATM 37 H14 UNL 1 0.961 -3.459 -1.165 1.00 0.00 H HETATM 38 H15 UNL 1 2.612 -3.416 -0.418 1.00 0.00 H HETATM 39 H16 UNL 1 2.148 -2.232 -1.671 1.00 0.00 H HETATM 40 H17 UNL 1 1.083 -3.519 1.638 1.00 0.00 H HETATM 41 H18 UNL 1 1.027 -1.903 2.398 1.00 0.00 H HETATM 42 H19 UNL 1 2.632 -2.541 1.868 1.00 0.00 H CONECT 1 2 24 25 26 CONECT 2 3 3 7 CONECT 3 4 27 CONECT 4 5 5 28 CONECT 5 6 21 CONECT 6 7 7 8 CONECT 7 29 CONECT 8 9 9 18 CONECT 9 10 20 CONECT 10 11 11 15 CONECT 11 12 30 CONECT 12 13 13 31 CONECT 13 14 32 CONECT 14 15 15 33 CONECT 15 16 CONECT 16 17 18 CONECT 17 34 35 36 CONECT 18 19 19 CONECT 20 21 CONECT 21 22 23 CONECT 22 37 38 39 CONECT 23 40 41 42 END