COMPND HMDB0256363 HETATM 1 O1 UNL 1 -4.809 0.705 -1.577 1.00 0.00 O HETATM 2 C1 UNL 1 -4.739 0.641 -0.300 1.00 0.00 C HETATM 3 N1 UNL 1 -5.883 0.402 0.484 1.00 0.00 N HETATM 4 C2 UNL 1 -7.164 0.212 -0.088 1.00 0.00 C HETATM 5 C3 UNL 1 -8.279 0.000 0.745 1.00 0.00 C HETATM 6 C4 UNL 1 -9.534 -0.188 0.215 1.00 0.00 C HETATM 7 C5 UNL 1 -9.719 -0.172 -1.144 1.00 0.00 C HETATM 8 N2 UNL 1 -8.634 0.033 -1.898 1.00 0.00 N HETATM 9 N3 UNL 1 -7.405 0.217 -1.406 1.00 0.00 N HETATM 10 N4 UNL 1 -3.475 0.812 0.283 1.00 0.00 N HETATM 11 C6 UNL 1 -2.314 1.042 -0.574 1.00 0.00 C HETATM 12 C7 UNL 1 -1.062 1.038 0.281 1.00 0.00 C HETATM 13 C8 UNL 1 -1.052 -0.207 1.078 1.00 0.00 C HETATM 14 C9 UNL 1 -0.133 -1.083 1.070 1.00 0.00 C HETATM 15 C10 UNL 1 1.094 -1.096 0.334 1.00 0.00 C HETATM 16 C11 UNL 1 1.395 -2.014 -0.653 1.00 0.00 C HETATM 17 C12 UNL 1 2.650 -2.064 -1.229 1.00 0.00 C HETATM 18 C13 UNL 1 3.652 -1.189 -0.831 1.00 0.00 C HETATM 19 C14 UNL 1 3.396 -0.260 0.148 1.00 0.00 C HETATM 20 O2 UNL 1 4.349 0.649 0.617 1.00 0.00 O HETATM 21 C15 UNL 1 5.652 0.526 0.220 1.00 0.00 C HETATM 22 C16 UNL 1 6.082 1.104 -0.946 1.00 0.00 C HETATM 23 C17 UNL 1 7.402 0.971 -1.330 1.00 0.00 C HETATM 24 C18 UNL 1 8.250 0.254 -0.524 1.00 0.00 C HETATM 25 C19 UNL 1 9.683 0.098 -0.917 1.00 0.00 C HETATM 26 F1 UNL 1 10.238 1.354 -0.903 1.00 0.00 F HETATM 27 F2 UNL 1 10.359 -0.675 0.011 1.00 0.00 F HETATM 28 F3 UNL 1 9.826 -0.529 -2.127 1.00 0.00 F HETATM 29 C20 UNL 1 7.826 -0.337 0.659 1.00 0.00 C HETATM 30 N5 UNL 1 6.546 -0.173 0.977 1.00 0.00 N HETATM 31 C21 UNL 1 2.123 -0.237 0.702 1.00 0.00 C HETATM 32 C22 UNL 1 -2.249 -0.340 2.012 1.00 0.00 C HETATM 33 C23 UNL 1 -3.237 0.757 1.712 1.00 0.00 C HETATM 34 H1 UNL 1 -5.776 0.367 1.532 1.00 0.00 H HETATM 35 H2 UNL 1 -8.073 -0.004 1.802 1.00 0.00 H HETATM 36 H3 UNL 1 -10.385 -0.349 0.844 1.00 0.00 H HETATM 37 H4 UNL 1 -10.702 -0.315 -1.623 1.00 0.00 H HETATM 38 H5 UNL 1 -2.206 0.183 -1.299 1.00 0.00 H HETATM 39 H6 UNL 1 -2.401 1.986 -1.146 1.00 0.00 H HETATM 40 H7 UNL 1 -0.149 1.122 -0.354 1.00 0.00 H HETATM 41 H8 UNL 1 -1.109 1.896 0.998 1.00 0.00 H HETATM 42 H9 UNL 1 -0.277 -1.983 1.720 1.00 0.00 H HETATM 43 H10 UNL 1 0.616 -2.695 -0.959 1.00 0.00 H HETATM 44 H11 UNL 1 2.865 -2.799 -1.996 1.00 0.00 H HETATM 45 H12 UNL 1 4.646 -1.201 -1.267 1.00 0.00 H HETATM 46 H13 UNL 1 5.387 1.668 -1.576 1.00 0.00 H HETATM 47 H14 UNL 1 7.717 1.435 -2.250 1.00 0.00 H HETATM 48 H15 UNL 1 8.553 -0.888 1.250 1.00 0.00 H HETATM 49 H16 UNL 1 1.919 0.500 1.476 1.00 0.00 H HETATM 50 H17 UNL 1 -2.715 -1.316 1.954 1.00 0.00 H HETATM 51 H18 UNL 1 -1.831 -0.193 3.022 1.00 0.00 H HETATM 52 H19 UNL 1 -2.803 1.732 2.004 1.00 0.00 H HETATM 53 H20 UNL 1 -4.112 0.601 2.321 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 10 CONECT 3 4 34 CONECT 4 5 5 9 CONECT 5 6 35 CONECT 6 7 7 36 CONECT 7 8 37 CONECT 8 9 9 CONECT 10 11 33 CONECT 11 12 38 39 CONECT 12 13 40 41 CONECT 13 14 14 32 CONECT 14 15 42 CONECT 15 16 16 31 CONECT 16 17 43 CONECT 17 18 18 44 CONECT 18 19 45 CONECT 19 20 31 31 CONECT 20 21 CONECT 21 22 22 30 CONECT 22 23 46 CONECT 23 24 24 47 CONECT 24 25 29 CONECT 25 26 27 28 CONECT 29 30 30 48 CONECT 31 49 CONECT 32 33 50 51 CONECT 33 52 53 END