COMPND HMDB0015138 HETATM 1 O1 UNL 1 -8.318 0.510 -2.845 1.00 0.00 O HETATM 2 C1 UNL 1 -8.029 0.858 -1.684 1.00 0.00 C HETATM 3 O2 UNL 1 -9.005 1.417 -0.886 1.00 0.00 O HETATM 4 C2 UNL 1 -6.671 0.662 -1.214 1.00 0.00 C HETATM 5 C3 UNL 1 -5.698 0.107 -2.004 1.00 0.00 C HETATM 6 C4 UNL 1 -4.410 -0.078 -1.556 1.00 0.00 C HETATM 7 O3 UNL 1 -3.519 -0.595 -2.305 1.00 0.00 O HETATM 8 C5 UNL 1 -4.112 0.312 -0.274 1.00 0.00 C HETATM 9 C6 UNL 1 -2.796 0.139 0.227 1.00 0.00 C HETATM 10 O4 UNL 1 -1.889 -0.397 -0.568 1.00 0.00 O HETATM 11 C7 UNL 1 -0.627 -0.801 -0.702 1.00 0.00 C HETATM 12 C8 UNL 1 -0.117 -1.942 0.157 1.00 0.00 C HETATM 13 O5 UNL 1 -0.192 -1.638 1.463 1.00 0.00 O HETATM 14 C9 UNL 1 1.208 -2.391 -0.379 1.00 0.00 C HETATM 15 O6 UNL 1 2.278 -1.617 -0.324 1.00 0.00 O HETATM 16 C10 UNL 1 3.142 -0.965 0.429 1.00 0.00 C HETATM 17 C11 UNL 1 3.097 -0.960 1.796 1.00 0.00 C HETATM 18 C12 UNL 1 4.054 -0.242 2.516 1.00 0.00 C HETATM 19 C13 UNL 1 5.039 0.458 1.883 1.00 0.00 C HETATM 20 C14 UNL 1 5.122 0.479 0.486 1.00 0.00 C HETATM 21 O7 UNL 1 6.068 1.151 -0.114 1.00 0.00 O HETATM 22 C15 UNL 1 6.169 1.189 -1.410 1.00 0.00 C HETATM 23 C16 UNL 1 7.260 1.965 -2.058 1.00 0.00 C HETATM 24 O8 UNL 1 7.327 1.980 -3.306 1.00 0.00 O HETATM 25 O9 UNL 1 8.199 2.670 -1.336 1.00 0.00 O HETATM 26 C17 UNL 1 5.261 0.506 -2.182 1.00 0.00 C HETATM 27 C18 UNL 1 4.263 -0.204 -1.570 1.00 0.00 C HETATM 28 O10 UNL 1 3.389 -0.859 -2.202 1.00 0.00 O HETATM 29 C19 UNL 1 4.160 -0.240 -0.179 1.00 0.00 C HETATM 30 C20 UNL 1 -2.582 0.555 1.515 1.00 0.00 C HETATM 31 C21 UNL 1 -3.598 1.102 2.251 1.00 0.00 C HETATM 32 C22 UNL 1 -4.867 1.271 1.775 1.00 0.00 C HETATM 33 C23 UNL 1 -5.115 0.862 0.480 1.00 0.00 C HETATM 34 O11 UNL 1 -6.341 1.023 0.012 1.00 0.00 O HETATM 35 H1 UNL 1 -9.090 1.295 0.103 1.00 0.00 H HETATM 36 H2 UNL 1 -5.979 -0.188 -3.014 1.00 0.00 H HETATM 37 H3 UNL 1 0.058 0.107 -0.543 1.00 0.00 H HETATM 38 H4 UNL 1 -0.346 -1.082 -1.778 1.00 0.00 H HETATM 39 H5 UNL 1 -0.866 -2.778 -0.046 1.00 0.00 H HETATM 40 H6 UNL 1 -0.238 -2.402 2.092 1.00 0.00 H HETATM 41 H7 UNL 1 1.431 -3.385 0.125 1.00 0.00 H HETATM 42 H8 UNL 1 1.027 -2.720 -1.452 1.00 0.00 H HETATM 43 H9 UNL 1 2.325 -1.518 2.356 1.00 0.00 H HETATM 44 H10 UNL 1 3.995 -0.256 3.580 1.00 0.00 H HETATM 45 H11 UNL 1 5.795 1.024 2.442 1.00 0.00 H HETATM 46 H12 UNL 1 9.057 2.240 -0.984 1.00 0.00 H HETATM 47 H13 UNL 1 5.332 0.527 -3.263 1.00 0.00 H HETATM 48 H14 UNL 1 -1.597 0.485 2.001 1.00 0.00 H HETATM 49 H15 UNL 1 -3.385 1.424 3.283 1.00 0.00 H HETATM 50 H16 UNL 1 -5.672 1.702 2.352 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 35 CONECT 4 5 5 34 CONECT 5 6 36 CONECT 6 7 7 8 CONECT 8 9 9 33 CONECT 9 10 30 CONECT 10 11 CONECT 11 12 37 38 CONECT 12 13 14 39 CONECT 13 40 CONECT 14 15 41 42 CONECT 15 16 CONECT 16 17 17 29 CONECT 17 18 43 CONECT 18 19 19 44 CONECT 19 20 45 CONECT 20 21 29 29 CONECT 21 22 CONECT 22 23 26 26 CONECT 23 24 24 25 CONECT 25 46 CONECT 26 27 47 CONECT 27 28 28 29 CONECT 30 31 31 48 CONECT 31 32 49 CONECT 32 33 33 50 CONECT 33 34 END