COMPND HMDB0014012 HETATM 1 C1 UNL 1 7.226 1.727 -1.186 1.00 0.00 C HETATM 2 O1 UNL 1 7.308 0.493 -0.529 1.00 0.00 O HETATM 3 C2 UNL 1 6.189 -0.217 -0.120 1.00 0.00 C HETATM 4 C3 UNL 1 6.383 -1.420 0.518 1.00 0.00 C HETATM 5 C4 UNL 1 5.309 -2.192 0.957 1.00 0.00 C HETATM 6 C5 UNL 1 4.023 -1.736 0.747 1.00 0.00 C HETATM 7 N1 UNL 1 2.808 -2.222 1.038 1.00 0.00 N HETATM 8 C6 UNL 1 1.838 -1.393 0.620 1.00 0.00 C HETATM 9 S1 UNL 1 0.099 -1.608 0.779 1.00 0.00 S HETATM 10 O2 UNL 1 -0.272 -1.839 2.200 1.00 0.00 O HETATM 11 O3 UNL 1 -0.261 -2.820 -0.031 1.00 0.00 O HETATM 12 C7 UNL 1 -0.751 -0.225 0.062 1.00 0.00 C HETATM 13 C8 UNL 1 -2.209 -0.410 0.199 1.00 0.00 C HETATM 14 N2 UNL 1 -2.728 -1.491 0.790 1.00 0.00 N HETATM 15 C9 UNL 1 -4.062 -1.634 0.900 1.00 0.00 C HETATM 16 C10 UNL 1 -4.964 -0.703 0.426 1.00 0.00 C HETATM 17 C11 UNL 1 -6.446 -0.885 0.562 1.00 0.00 C HETATM 18 C12 UNL 1 -4.445 0.418 -0.186 1.00 0.00 C HETATM 19 O4 UNL 1 -5.309 1.376 -0.676 1.00 0.00 O HETATM 20 C13 UNL 1 -5.758 2.459 0.098 1.00 0.00 C HETATM 21 C14 UNL 1 -3.062 0.537 -0.285 1.00 0.00 C HETATM 22 C15 UNL 1 -2.540 1.745 -0.945 1.00 0.00 C HETATM 23 N3 UNL 1 2.466 -0.344 0.043 1.00 0.00 N HETATM 24 C16 UNL 1 3.799 -0.523 0.105 1.00 0.00 C HETATM 25 C17 UNL 1 4.901 0.224 -0.323 1.00 0.00 C HETATM 26 H1 UNL 1 7.121 1.561 -2.259 1.00 0.00 H HETATM 27 H2 UNL 1 8.208 2.245 -1.019 1.00 0.00 H HETATM 28 H3 UNL 1 6.400 2.324 -0.741 1.00 0.00 H HETATM 29 H4 UNL 1 7.395 -1.795 0.692 1.00 0.00 H HETATM 30 H5 UNL 1 5.453 -3.139 1.460 1.00 0.00 H HETATM 31 H6 UNL 1 -0.460 -0.204 -1.019 1.00 0.00 H HETATM 32 H7 UNL 1 -0.398 0.739 0.481 1.00 0.00 H HETATM 33 H8 UNL 1 -4.496 -2.520 1.386 1.00 0.00 H HETATM 34 H9 UNL 1 -6.854 -0.313 1.420 1.00 0.00 H HETATM 35 H10 UNL 1 -6.974 -0.538 -0.352 1.00 0.00 H HETATM 36 H11 UNL 1 -6.715 -1.938 0.704 1.00 0.00 H HETATM 37 H12 UNL 1 -6.803 2.347 0.447 1.00 0.00 H HETATM 38 H13 UNL 1 -5.698 3.422 -0.483 1.00 0.00 H HETATM 39 H14 UNL 1 -5.087 2.608 0.972 1.00 0.00 H HETATM 40 H15 UNL 1 -3.168 2.606 -0.598 1.00 0.00 H HETATM 41 H16 UNL 1 -1.505 1.996 -0.684 1.00 0.00 H HETATM 42 H17 UNL 1 -2.702 1.639 -2.039 1.00 0.00 H HETATM 43 H18 UNL 1 2.017 0.478 -0.385 1.00 0.00 H HETATM 44 H19 UNL 1 4.722 1.166 -0.822 1.00 0.00 H CONECT 1 2 26 27 28 CONECT 2 3 CONECT 3 4 4 25 CONECT 4 5 29 CONECT 5 6 6 30 CONECT 6 7 24 CONECT 7 8 8 CONECT 8 9 23 CONECT 9 10 10 11 11 CONECT 9 12 CONECT 12 13 31 32 CONECT 13 14 14 21 CONECT 14 15 CONECT 15 16 16 33 CONECT 16 17 18 CONECT 17 34 35 36 CONECT 18 19 21 21 CONECT 19 20 CONECT 20 37 38 39 CONECT 21 22 CONECT 22 40 41 42 CONECT 23 24 43 CONECT 24 25 25 CONECT 25 44 END