COMPND HMDB0244853 HETATM 1 C1 UNL 1 0.487 -1.283 -1.438 1.00 0.00 C HETATM 2 N1 UNL 1 0.972 -0.911 -0.107 1.00 0.00 N HETATM 3 C2 UNL 1 0.201 -1.081 1.092 1.00 0.00 C HETATM 4 C3 UNL 1 -1.257 -0.937 0.857 1.00 0.00 C HETATM 5 C4 UNL 1 -2.083 -2.049 1.071 1.00 0.00 C HETATM 6 N2 UNL 1 -3.384 -1.920 0.851 1.00 0.00 N HETATM 7 C5 UNL 1 -3.924 -0.749 0.428 1.00 0.00 C HETATM 8 N3 UNL 1 -5.237 -0.637 0.208 1.00 0.00 N HETATM 9 C6 UNL 1 -5.817 0.505 -0.218 1.00 0.00 C HETATM 10 N4 UNL 1 -7.230 0.581 -0.437 1.00 0.00 N HETATM 11 N5 UNL 1 -5.013 1.550 -0.418 1.00 0.00 N HETATM 12 C7 UNL 1 -3.695 1.534 -0.225 1.00 0.00 C HETATM 13 N6 UNL 1 -2.859 2.646 -0.445 1.00 0.00 N HETATM 14 C8 UNL 1 -3.105 0.347 0.216 1.00 0.00 C HETATM 15 N7 UNL 1 -1.788 0.214 0.440 1.00 0.00 N HETATM 16 C9 UNL 1 2.303 -0.433 -0.018 1.00 0.00 C HETATM 17 C10 UNL 1 2.747 0.754 -0.525 1.00 0.00 C HETATM 18 C11 UNL 1 4.096 1.090 -0.399 1.00 0.00 C HETATM 19 C12 UNL 1 5.022 0.276 0.219 1.00 0.00 C HETATM 20 C13 UNL 1 6.437 0.605 0.314 1.00 0.00 C HETATM 21 O1 UNL 1 7.201 -0.177 0.934 1.00 0.00 O HETATM 22 O2 UNL 1 6.908 1.762 -0.283 1.00 0.00 O HETATM 23 C14 UNL 1 4.561 -0.917 0.728 1.00 0.00 C HETATM 24 C15 UNL 1 3.238 -1.265 0.614 1.00 0.00 C HETATM 25 H1 UNL 1 0.816 -2.267 -1.776 1.00 0.00 H HETATM 26 H2 UNL 1 0.918 -0.519 -2.142 1.00 0.00 H HETATM 27 H3 UNL 1 -0.627 -1.141 -1.494 1.00 0.00 H HETATM 28 H4 UNL 1 0.427 -2.033 1.613 1.00 0.00 H HETATM 29 H5 UNL 1 0.507 -0.248 1.787 1.00 0.00 H HETATM 30 H6 UNL 1 -1.591 -2.947 1.405 1.00 0.00 H HETATM 31 H7 UNL 1 -7.689 0.116 -1.229 1.00 0.00 H HETATM 32 H8 UNL 1 -7.790 1.130 0.242 1.00 0.00 H HETATM 33 H9 UNL 1 -2.548 3.189 0.395 1.00 0.00 H HETATM 34 H10 UNL 1 -2.540 2.940 -1.402 1.00 0.00 H HETATM 35 H11 UNL 1 2.052 1.441 -1.020 1.00 0.00 H HETATM 36 H12 UNL 1 4.489 2.029 -0.794 1.00 0.00 H HETATM 37 H13 UNL 1 6.705 2.642 0.158 1.00 0.00 H HETATM 38 H14 UNL 1 5.229 -1.627 1.242 1.00 0.00 H HETATM 39 H15 UNL 1 2.861 -2.213 1.021 1.00 0.00 H CONECT 1 2 25 26 27 CONECT 2 3 16 CONECT 3 4 28 29 CONECT 4 5 5 15 CONECT 5 6 30 CONECT 6 7 7 CONECT 7 8 14 CONECT 8 9 9 CONECT 9 10 11 CONECT 10 31 32 CONECT 11 12 12 CONECT 12 13 14 CONECT 13 33 34 CONECT 14 15 15 CONECT 16 17 17 24 CONECT 17 18 35 CONECT 18 19 19 36 CONECT 19 20 23 CONECT 20 21 21 22 CONECT 22 37 CONECT 23 24 24 38 CONECT 24 39 END