COMPND HMDB0015466 HETATM 1 C1 UNL 1 4.773 -3.407 -0.407 1.00 0.00 C HETATM 2 O1 UNL 1 4.491 -2.151 0.160 1.00 0.00 O HETATM 3 C2 UNL 1 3.288 -1.523 -0.082 1.00 0.00 C HETATM 4 C3 UNL 1 2.347 -2.125 -0.886 1.00 0.00 C HETATM 5 C4 UNL 1 1.175 -1.488 -1.110 1.00 0.00 C HETATM 6 C5 UNL 1 0.957 -0.227 -0.513 1.00 0.00 C HETATM 7 C6 UNL 1 1.865 0.386 0.289 1.00 0.00 C HETATM 8 O2 UNL 1 1.590 1.600 0.861 1.00 0.00 O HETATM 9 C7 UNL 1 0.992 1.719 2.154 1.00 0.00 C HETATM 10 C8 UNL 1 3.061 -0.274 0.509 1.00 0.00 C HETATM 11 O3 UNL 1 4.065 0.246 1.299 1.00 0.00 O HETATM 12 C9 UNL 1 4.194 0.008 2.674 1.00 0.00 C HETATM 13 C10 UNL 1 -0.202 0.627 -0.722 1.00 0.00 C HETATM 14 C11 UNL 1 0.383 1.870 -0.764 1.00 0.00 C HETATM 15 C12 UNL 1 -0.265 3.063 -0.561 1.00 0.00 C HETATM 16 C13 UNL 1 -1.644 3.277 -0.376 1.00 0.00 C HETATM 17 O4 UNL 1 -1.975 4.512 0.123 1.00 0.00 O HETATM 18 C14 UNL 1 -0.972 5.451 0.411 1.00 0.00 C HETATM 19 C15 UNL 1 -2.677 2.379 -0.645 1.00 0.00 C HETATM 20 O5 UNL 1 -3.792 2.923 -0.816 1.00 0.00 O HETATM 21 C16 UNL 1 -2.620 0.981 -0.745 1.00 0.00 C HETATM 22 C17 UNL 1 -1.512 0.176 -0.872 1.00 0.00 C HETATM 23 C18 UNL 1 -2.056 -1.129 -1.191 1.00 0.00 C HETATM 24 N1 UNL 1 -3.093 -1.452 -0.216 1.00 0.00 N HETATM 25 C19 UNL 1 -4.433 -1.757 -0.581 1.00 0.00 C HETATM 26 C20 UNL 1 -5.477 -2.081 0.395 1.00 0.00 C HETATM 27 O6 UNL 1 -4.705 -1.739 -1.810 1.00 0.00 O HETATM 28 C21 UNL 1 -1.120 -2.294 -1.167 1.00 0.00 C HETATM 29 C22 UNL 1 0.158 -2.179 -1.945 1.00 0.00 C HETATM 30 H1 UNL 1 4.688 -3.320 -1.510 1.00 0.00 H HETATM 31 H2 UNL 1 4.094 -4.206 -0.044 1.00 0.00 H HETATM 32 H3 UNL 1 5.828 -3.702 -0.178 1.00 0.00 H HETATM 33 H4 UNL 1 2.495 -3.098 -1.358 1.00 0.00 H HETATM 34 H5 UNL 1 1.618 1.271 2.922 1.00 0.00 H HETATM 35 H6 UNL 1 0.064 1.078 2.095 1.00 0.00 H HETATM 36 H7 UNL 1 0.652 2.740 2.336 1.00 0.00 H HETATM 37 H8 UNL 1 4.026 0.944 3.241 1.00 0.00 H HETATM 38 H9 UNL 1 3.349 -0.679 2.963 1.00 0.00 H HETATM 39 H10 UNL 1 5.148 -0.491 2.943 1.00 0.00 H HETATM 40 H11 UNL 1 1.410 1.864 -1.009 1.00 0.00 H HETATM 41 H12 UNL 1 0.349 3.944 -0.542 1.00 0.00 H HETATM 42 H13 UNL 1 -0.458 5.795 -0.522 1.00 0.00 H HETATM 43 H14 UNL 1 -1.490 6.306 0.912 1.00 0.00 H HETATM 44 H15 UNL 1 -0.175 5.029 1.077 1.00 0.00 H HETATM 45 H16 UNL 1 -3.589 0.515 -0.715 1.00 0.00 H HETATM 46 H17 UNL 1 -2.581 -1.083 -2.173 1.00 0.00 H HETATM 47 H18 UNL 1 -2.865 -1.467 0.807 1.00 0.00 H HETATM 48 H19 UNL 1 -6.005 -1.128 0.663 1.00 0.00 H HETATM 49 H20 UNL 1 -5.052 -2.484 1.325 1.00 0.00 H HETATM 50 H21 UNL 1 -6.264 -2.751 -0.004 1.00 0.00 H HETATM 51 H22 UNL 1 -0.889 -2.525 -0.112 1.00 0.00 H HETATM 52 H23 UNL 1 -1.674 -3.169 -1.566 1.00 0.00 H HETATM 53 H24 UNL 1 0.507 -3.208 -2.164 1.00 0.00 H HETATM 54 H25 UNL 1 0.016 -1.567 -2.855 1.00 0.00 H CONECT 1 2 30 31 32 CONECT 2 3 CONECT 3 4 4 10 CONECT 4 5 33 CONECT 5 6 6 29 CONECT 6 7 13 CONECT 7 8 10 10 CONECT 8 9 CONECT 9 34 35 36 CONECT 10 11 CONECT 11 12 CONECT 12 37 38 39 CONECT 13 14 14 22 CONECT 14 15 40 CONECT 15 16 16 41 CONECT 16 17 19 CONECT 17 18 CONECT 18 42 43 44 CONECT 19 20 20 21 CONECT 21 22 22 45 CONECT 22 23 CONECT 23 24 28 46 CONECT 24 25 47 CONECT 25 26 27 27 CONECT 26 48 49 50 CONECT 28 29 51 52 CONECT 29 53 54 END