COMPND HMDB0040481 HETATM 1 C1 UNL 1 0.224 4.561 2.163 1.00 0.00 C HETATM 2 O1 UNL 1 -0.980 3.966 2.622 1.00 0.00 O HETATM 3 C2 UNL 1 -1.410 2.725 2.179 1.00 0.00 C HETATM 4 C3 UNL 1 -0.712 1.972 1.262 1.00 0.00 C HETATM 5 C4 UNL 1 -1.179 0.750 0.860 1.00 0.00 C HETATM 6 C5 UNL 1 -2.355 0.217 1.343 1.00 0.00 C HETATM 7 C6 UNL 1 -3.050 0.989 2.269 1.00 0.00 C HETATM 8 C7 UNL 1 -2.592 2.220 2.683 1.00 0.00 C HETATM 9 O2 UNL 1 -3.341 2.951 3.623 1.00 0.00 O HETATM 10 O3 UNL 1 -2.834 -1.009 0.946 1.00 0.00 O HETATM 11 C8 UNL 1 -2.247 -1.833 0.000 1.00 0.00 C HETATM 12 C9 UNL 1 -3.212 -2.252 -1.024 1.00 0.00 C HETATM 13 C10 UNL 1 -4.221 -3.023 -0.703 1.00 0.00 C HETATM 14 C11 UNL 1 -4.378 -3.470 0.706 1.00 0.00 C HETATM 15 C12 UNL 1 -5.243 -3.491 -1.687 1.00 0.00 C HETATM 16 C13 UNL 1 -0.991 -1.307 -0.540 1.00 0.00 C HETATM 17 C14 UNL 1 -0.492 -0.102 -0.137 1.00 0.00 C HETATM 18 O4 UNL 1 0.651 0.371 -0.631 1.00 0.00 O HETATM 19 C15 UNL 1 1.316 -0.324 -1.521 1.00 0.00 C HETATM 20 C16 UNL 1 2.491 0.192 -2.019 1.00 0.00 C HETATM 21 C17 UNL 1 3.038 1.470 -1.440 1.00 0.00 C HETATM 22 C18 UNL 1 3.929 1.081 -0.336 1.00 0.00 C HETATM 23 C19 UNL 1 3.935 1.410 0.918 1.00 0.00 C HETATM 24 C20 UNL 1 5.003 0.841 1.856 1.00 0.00 C HETATM 25 C21 UNL 1 2.947 2.339 1.515 1.00 0.00 C HETATM 26 C22 UNL 1 3.241 -0.491 -2.975 1.00 0.00 C HETATM 27 O5 UNL 1 4.417 0.054 -3.458 1.00 0.00 O HETATM 28 C23 UNL 1 2.782 -1.711 -3.420 1.00 0.00 C HETATM 29 C24 UNL 1 1.594 -2.291 -2.948 1.00 0.00 C HETATM 30 O6 UNL 1 1.185 -3.500 -3.420 1.00 0.00 O HETATM 31 C25 UNL 1 0.875 -1.568 -1.990 1.00 0.00 C HETATM 32 C26 UNL 1 -0.298 -2.070 -1.491 1.00 0.00 C HETATM 33 O7 UNL 1 -0.793 -3.156 -1.823 1.00 0.00 O HETATM 34 H1 UNL 1 0.421 4.376 1.107 1.00 0.00 H HETATM 35 H2 UNL 1 1.042 4.111 2.776 1.00 0.00 H HETATM 36 H3 UNL 1 0.223 5.644 2.382 1.00 0.00 H HETATM 37 H4 UNL 1 0.197 2.366 0.854 1.00 0.00 H HETATM 38 H5 UNL 1 -3.969 0.578 2.651 1.00 0.00 H HETATM 39 H6 UNL 1 -2.993 3.849 3.916 1.00 0.00 H HETATM 40 H7 UNL 1 -1.956 -2.790 0.552 1.00 0.00 H HETATM 41 H8 UNL 1 -3.107 -1.934 -2.044 1.00 0.00 H HETATM 42 H9 UNL 1 -4.442 -2.629 1.411 1.00 0.00 H HETATM 43 H10 UNL 1 -3.519 -4.132 0.947 1.00 0.00 H HETATM 44 H11 UNL 1 -5.289 -4.116 0.844 1.00 0.00 H HETATM 45 H12 UNL 1 -5.174 -4.618 -1.668 1.00 0.00 H HETATM 46 H13 UNL 1 -5.077 -3.092 -2.687 1.00 0.00 H HETATM 47 H14 UNL 1 -6.254 -3.198 -1.278 1.00 0.00 H HETATM 48 H15 UNL 1 2.164 2.022 -0.961 1.00 0.00 H HETATM 49 H16 UNL 1 3.452 2.142 -2.188 1.00 0.00 H HETATM 50 H17 UNL 1 4.754 0.375 -0.633 1.00 0.00 H HETATM 51 H18 UNL 1 5.195 1.644 2.587 1.00 0.00 H HETATM 52 H19 UNL 1 5.913 0.633 1.243 1.00 0.00 H HETATM 53 H20 UNL 1 4.568 -0.056 2.312 1.00 0.00 H HETATM 54 H21 UNL 1 3.405 2.972 2.311 1.00 0.00 H HETATM 55 H22 UNL 1 2.130 1.774 2.048 1.00 0.00 H HETATM 56 H23 UNL 1 2.535 2.995 0.738 1.00 0.00 H HETATM 57 H24 UNL 1 4.696 0.965 -3.145 1.00 0.00 H HETATM 58 H25 UNL 1 3.334 -2.287 -4.172 1.00 0.00 H HETATM 59 H26 UNL 1 0.452 -4.104 -3.285 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 37 CONECT 5 6 6 17 CONECT 6 7 10 CONECT 7 8 8 38 CONECT 8 9 CONECT 9 39 CONECT 10 11 CONECT 11 12 16 40 CONECT 12 13 13 41 CONECT 13 14 15 CONECT 14 42 43 44 CONECT 15 45 46 47 CONECT 16 17 17 32 CONECT 17 18 CONECT 18 19 CONECT 19 20 20 31 CONECT 20 21 26 CONECT 21 22 48 49 CONECT 22 23 23 50 CONECT 23 24 25 CONECT 24 51 52 53 CONECT 25 54 55 56 CONECT 26 27 28 28 CONECT 27 57 CONECT 28 29 58 CONECT 29 30 31 31 CONECT 30 59 CONECT 31 32 CONECT 32 33 33 END