COMPND HMDB0001204 HETATM 1 C1 UNL 1 3.012 -2.697 -0.531 1.00 0.00 C HETATM 2 N1 UNL 1 2.299 -1.416 -0.503 1.00 0.00 N HETATM 3 C2 UNL 1 1.291 -1.004 0.396 1.00 0.00 C HETATM 4 O1 UNL 1 1.110 -1.566 1.528 1.00 0.00 O HETATM 5 C3 UNL 1 0.526 0.128 -0.170 1.00 0.00 C HETATM 6 O2 UNL 1 -0.808 -0.303 -0.270 1.00 0.00 O HETATM 7 C4 UNL 1 -1.670 0.492 0.488 1.00 0.00 C HETATM 8 O3 UNL 1 -2.191 -0.297 1.479 1.00 0.00 O HETATM 9 C5 UNL 1 -3.549 -0.353 1.546 1.00 0.00 C HETATM 10 C6 UNL 1 -4.011 -1.174 2.657 1.00 0.00 C HETATM 11 O4 UNL 1 -5.215 -1.392 2.944 1.00 0.00 O HETATM 12 O5 UNL 1 -3.068 -1.777 3.481 1.00 0.00 O HETATM 13 C7 UNL 1 -4.055 -0.811 0.201 1.00 0.00 C HETATM 14 O6 UNL 1 -5.376 -1.220 0.226 1.00 0.00 O HETATM 15 C8 UNL 1 -3.903 0.433 -0.685 1.00 0.00 C HETATM 16 O7 UNL 1 -4.033 0.031 -2.016 1.00 0.00 O HETATM 17 C9 UNL 1 -2.642 1.156 -0.414 1.00 0.00 C HETATM 18 O8 UNL 1 -2.940 2.436 0.056 1.00 0.00 O HETATM 19 C10 UNL 1 1.149 0.310 -1.524 1.00 0.00 C HETATM 20 C11 UNL 1 2.512 -0.314 -1.423 1.00 0.00 C HETATM 21 C12 UNL 1 3.565 0.605 -0.983 1.00 0.00 C HETATM 22 C13 UNL 1 4.498 1.045 -1.898 1.00 0.00 C HETATM 23 C14 UNL 1 5.518 1.922 -1.514 1.00 0.00 C HETATM 24 C15 UNL 1 5.566 2.336 -0.198 1.00 0.00 C HETATM 25 N2 UNL 1 4.646 1.897 0.685 1.00 0.00 N HETATM 26 C16 UNL 1 3.666 1.054 0.314 1.00 0.00 C HETATM 27 H1 UNL 1 3.886 -2.579 0.134 1.00 0.00 H HETATM 28 H2 UNL 1 3.302 -2.959 -1.581 1.00 0.00 H HETATM 29 H3 UNL 1 2.359 -3.524 -0.172 1.00 0.00 H HETATM 30 H4 UNL 1 0.624 1.004 0.485 1.00 0.00 H HETATM 31 H5 UNL 1 -1.035 1.265 0.970 1.00 0.00 H HETATM 32 H6 UNL 1 -3.924 0.693 1.719 1.00 0.00 H HETATM 33 H7 UNL 1 -3.020 -1.460 4.462 1.00 0.00 H HETATM 34 H8 UNL 1 -3.360 -1.585 -0.183 1.00 0.00 H HETATM 35 H9 UNL 1 -5.425 -2.077 0.698 1.00 0.00 H HETATM 36 H10 UNL 1 -4.783 1.064 -0.448 1.00 0.00 H HETATM 37 H11 UNL 1 -3.589 -0.870 -2.073 1.00 0.00 H HETATM 38 H12 UNL 1 -2.134 1.325 -1.410 1.00 0.00 H HETATM 39 H13 UNL 1 -3.406 2.954 -0.655 1.00 0.00 H HETATM 40 H14 UNL 1 0.528 -0.153 -2.331 1.00 0.00 H HETATM 41 H15 UNL 1 1.255 1.412 -1.697 1.00 0.00 H HETATM 42 H16 UNL 1 2.754 -0.795 -2.402 1.00 0.00 H HETATM 43 H17 UNL 1 4.509 0.755 -2.934 1.00 0.00 H HETATM 44 H18 UNL 1 6.254 2.273 -2.222 1.00 0.00 H HETATM 45 H19 UNL 1 6.366 3.024 0.104 1.00 0.00 H HETATM 46 H20 UNL 1 2.942 0.713 1.026 1.00 0.00 H CONECT 1 2 27 28 29 CONECT 2 3 20 CONECT 3 4 4 5 CONECT 5 6 19 30 CONECT 6 7 CONECT 7 8 17 31 CONECT 8 9 CONECT 9 10 13 32 CONECT 10 11 11 12 CONECT 12 33 CONECT 13 14 15 34 CONECT 14 35 CONECT 15 16 17 36 CONECT 16 37 CONECT 17 18 38 CONECT 18 39 CONECT 19 20 40 41 CONECT 20 21 42 CONECT 21 22 22 26 CONECT 22 23 43 CONECT 23 24 24 44 CONECT 24 25 45 CONECT 25 26 26 CONECT 26 46 END