COMPND HMDB0037753 HETATM 1 C1 UNL 1 0.025 4.542 -4.301 1.00 0.00 C HETATM 2 O1 UNL 1 1.061 4.170 -3.454 1.00 0.00 O HETATM 3 C2 UNL 1 1.115 3.053 -2.646 1.00 0.00 C HETATM 4 C3 UNL 1 0.094 2.137 -2.587 1.00 0.00 C HETATM 5 C4 UNL 1 0.114 1.004 -1.786 1.00 0.00 C HETATM 6 C5 UNL 1 1.207 0.764 -0.997 1.00 0.00 C HETATM 7 C6 UNL 1 1.302 -0.360 -0.091 1.00 0.00 C HETATM 8 O2 UNL 1 2.543 -0.629 0.336 1.00 0.00 O HETATM 9 C7 UNL 1 2.832 -1.604 1.153 1.00 0.00 C HETATM 10 C8 UNL 1 4.128 -1.858 1.577 1.00 0.00 C HETATM 11 O3 UNL 1 5.146 -1.051 1.118 1.00 0.00 O HETATM 12 C9 UNL 1 5.903 -1.268 -0.035 1.00 0.00 C HETATM 13 C10 UNL 1 4.441 -2.883 2.439 1.00 0.00 C HETATM 14 O4 UNL 1 5.739 -3.099 2.834 1.00 0.00 O HETATM 15 C11 UNL 1 3.438 -3.722 2.926 1.00 0.00 C HETATM 16 C12 UNL 1 2.142 -3.482 2.513 1.00 0.00 C HETATM 17 O5 UNL 1 1.098 -4.281 2.962 1.00 0.00 O HETATM 18 C13 UNL 1 1.846 -2.437 1.639 1.00 0.00 C HETATM 19 C14 UNL 1 0.558 -2.203 1.234 1.00 0.00 C HETATM 20 O6 UNL 1 -0.324 -2.961 1.678 1.00 0.00 O HETATM 21 C15 UNL 1 0.303 -1.149 0.363 1.00 0.00 C HETATM 22 O7 UNL 1 -1.004 -0.955 0.010 1.00 0.00 O HETATM 23 C16 UNL 1 -1.915 -0.202 0.803 1.00 0.00 C HETATM 24 O8 UNL 1 -2.446 0.824 0.096 1.00 0.00 O HETATM 25 C17 UNL 1 -3.673 0.582 -0.470 1.00 0.00 C HETATM 26 C18 UNL 1 -4.071 1.620 -1.486 1.00 0.00 C HETATM 27 O9 UNL 1 -5.324 1.336 -2.027 1.00 0.00 O HETATM 28 C19 UNL 1 -4.761 0.337 0.529 1.00 0.00 C HETATM 29 O10 UNL 1 -5.421 1.516 0.889 1.00 0.00 O HETATM 30 C20 UNL 1 -4.221 -0.352 1.755 1.00 0.00 C HETATM 31 O11 UNL 1 -3.953 0.600 2.739 1.00 0.00 O HETATM 32 C21 UNL 1 -2.973 -1.124 1.391 1.00 0.00 C HETATM 33 O12 UNL 1 -3.318 -2.137 0.526 1.00 0.00 O HETATM 34 C22 UNL 1 2.248 1.706 -1.065 1.00 0.00 C HETATM 35 C23 UNL 1 2.212 2.806 -1.852 1.00 0.00 C HETATM 36 O13 UNL 1 3.274 3.689 -1.865 1.00 0.00 O HETATM 37 H1 UNL 1 -0.938 4.178 -3.889 1.00 0.00 H HETATM 38 H2 UNL 1 -0.090 5.668 -4.327 1.00 0.00 H HETATM 39 H3 UNL 1 0.099 4.149 -5.332 1.00 0.00 H HETATM 40 H4 UNL 1 -0.796 2.274 -3.188 1.00 0.00 H HETATM 41 H5 UNL 1 -0.732 0.301 -1.817 1.00 0.00 H HETATM 42 H6 UNL 1 5.358 -0.963 -0.957 1.00 0.00 H HETATM 43 H7 UNL 1 6.807 -0.602 0.044 1.00 0.00 H HETATM 44 H8 UNL 1 6.267 -2.300 -0.125 1.00 0.00 H HETATM 45 H9 UNL 1 5.993 -3.841 3.463 1.00 0.00 H HETATM 46 H10 UNL 1 3.677 -4.521 3.598 1.00 0.00 H HETATM 47 H11 UNL 1 1.209 -5.047 3.583 1.00 0.00 H HETATM 48 H12 UNL 1 -1.334 0.188 1.664 1.00 0.00 H HETATM 49 H13 UNL 1 -3.563 -0.379 -1.055 1.00 0.00 H HETATM 50 H14 UNL 1 -3.370 1.578 -2.373 1.00 0.00 H HETATM 51 H15 UNL 1 -3.974 2.665 -1.119 1.00 0.00 H HETATM 52 H16 UNL 1 -5.609 2.179 -2.501 1.00 0.00 H HETATM 53 H17 UNL 1 -5.532 -0.325 0.087 1.00 0.00 H HETATM 54 H18 UNL 1 -5.476 2.173 0.163 1.00 0.00 H HETATM 55 H19 UNL 1 -4.977 -1.068 2.121 1.00 0.00 H HETATM 56 H20 UNL 1 -3.415 0.183 3.460 1.00 0.00 H HETATM 57 H21 UNL 1 -2.582 -1.572 2.318 1.00 0.00 H HETATM 58 H22 UNL 1 -3.613 -2.908 1.065 1.00 0.00 H HETATM 59 H23 UNL 1 3.137 1.527 -0.435 1.00 0.00 H HETATM 60 H24 UNL 1 4.088 3.536 -1.295 1.00 0.00 H CONECT 1 2 37 38 39 CONECT 2 3 CONECT 3 4 4 35 CONECT 4 5 40 CONECT 5 6 6 41 CONECT 6 7 34 CONECT 7 8 21 21 CONECT 8 9 CONECT 9 10 10 18 CONECT 10 11 13 CONECT 11 12 CONECT 12 42 43 44 CONECT 13 14 15 15 CONECT 14 45 CONECT 15 16 46 CONECT 16 17 18 18 CONECT 17 47 CONECT 18 19 CONECT 19 20 20 21 CONECT 21 22 CONECT 22 23 CONECT 23 24 32 48 CONECT 24 25 CONECT 25 26 28 49 CONECT 26 27 50 51 CONECT 27 52 CONECT 28 29 30 53 CONECT 29 54 CONECT 30 31 32 55 CONECT 31 56 CONECT 32 33 57 CONECT 33 58 CONECT 34 35 35 59 CONECT 35 36 CONECT 36 60 END