COMPND HMDB0014399 HETATM 1 C1 UNL 1 2.248 -2.672 0.338 1.00 0.00 C HETATM 2 C2 UNL 1 1.890 -1.175 0.317 1.00 0.00 C HETATM 3 C3 UNL 1 3.115 -0.425 0.552 1.00 0.00 C HETATM 4 C4 UNL 1 4.112 -0.966 1.348 1.00 0.00 C HETATM 5 C5 UNL 1 5.293 -0.314 1.643 1.00 0.00 C HETATM 6 C6 UNL 1 5.495 0.943 1.119 1.00 0.00 C HETATM 7 C7 UNL 1 4.532 1.501 0.333 1.00 0.00 C HETATM 8 O1 UNL 1 4.736 2.765 -0.193 1.00 0.00 O HETATM 9 C8 UNL 1 3.362 0.834 0.051 1.00 0.00 C HETATM 10 C9 UNL 1 2.331 1.390 -0.813 1.00 0.00 C HETATM 11 O2 UNL 1 2.513 2.559 -1.304 1.00 0.00 O HETATM 12 C10 UNL 1 1.111 0.623 -1.113 1.00 0.00 C HETATM 13 C11 UNL 1 0.085 1.312 -1.510 1.00 0.00 C HETATM 14 O3 UNL 1 0.143 2.682 -1.646 1.00 0.00 O HETATM 15 C12 UNL 1 -1.190 0.654 -1.830 1.00 0.00 C HETATM 16 O4 UNL 1 -1.239 0.445 -3.198 1.00 0.00 O HETATM 17 C13 UNL 1 -2.274 1.596 -1.476 1.00 0.00 C HETATM 18 O5 UNL 1 -2.968 2.127 -2.332 1.00 0.00 O HETATM 19 C14 UNL 1 -2.472 1.862 -0.060 1.00 0.00 C HETATM 20 C15 UNL 1 -2.778 3.202 0.413 1.00 0.00 C HETATM 21 N1 UNL 1 -2.949 3.487 1.778 1.00 0.00 N HETATM 22 O6 UNL 1 -2.897 4.138 -0.407 1.00 0.00 O HETATM 23 C16 UNL 1 -2.389 0.779 0.724 1.00 0.00 C HETATM 24 O7 UNL 1 -2.555 0.916 2.093 1.00 0.00 O HETATM 25 C17 UNL 1 -2.136 -0.547 0.189 1.00 0.00 C HETATM 26 N2 UNL 1 -3.361 -1.366 0.143 1.00 0.00 N HETATM 27 C18 UNL 1 -3.155 -2.718 0.564 1.00 0.00 C HETATM 28 C19 UNL 1 -4.452 -0.760 0.853 1.00 0.00 C HETATM 29 C20 UNL 1 -1.380 -0.651 -1.112 1.00 0.00 C HETATM 30 C21 UNL 1 -0.158 -1.513 -1.018 1.00 0.00 C HETATM 31 O8 UNL 1 -0.110 -2.485 -2.042 1.00 0.00 O HETATM 32 C22 UNL 1 1.163 -0.826 -0.958 1.00 0.00 C HETATM 33 H1 UNL 1 3.192 -2.778 -0.216 1.00 0.00 H HETATM 34 H2 UNL 1 2.312 -2.963 1.404 1.00 0.00 H HETATM 35 H3 UNL 1 1.467 -3.268 -0.177 1.00 0.00 H HETATM 36 H4 UNL 1 1.148 -1.027 1.154 1.00 0.00 H HETATM 37 H5 UNL 1 3.990 -1.950 1.778 1.00 0.00 H HETATM 38 H6 UNL 1 6.027 -0.776 2.260 1.00 0.00 H HETATM 39 H7 UNL 1 6.432 1.420 1.366 1.00 0.00 H HETATM 40 H8 UNL 1 5.563 3.307 -0.022 1.00 0.00 H HETATM 41 H9 UNL 1 0.299 3.045 -2.576 1.00 0.00 H HETATM 42 H10 UNL 1 -1.107 -0.497 -3.437 1.00 0.00 H HETATM 43 H11 UNL 1 -2.415 4.354 2.110 1.00 0.00 H HETATM 44 H12 UNL 1 -3.539 2.935 2.411 1.00 0.00 H HETATM 45 H13 UNL 1 -1.939 0.346 2.696 1.00 0.00 H HETATM 46 H14 UNL 1 -1.501 -1.097 0.950 1.00 0.00 H HETATM 47 H15 UNL 1 -2.383 -3.207 -0.083 1.00 0.00 H HETATM 48 H16 UNL 1 -3.011 -2.878 1.637 1.00 0.00 H HETATM 49 H17 UNL 1 -4.104 -3.274 0.299 1.00 0.00 H HETATM 50 H18 UNL 1 -5.386 -1.088 0.315 1.00 0.00 H HETATM 51 H19 UNL 1 -4.539 -1.103 1.882 1.00 0.00 H HETATM 52 H20 UNL 1 -4.471 0.327 0.857 1.00 0.00 H HETATM 53 H21 UNL 1 -2.068 -1.239 -1.804 1.00 0.00 H HETATM 54 H22 UNL 1 -0.263 -2.126 -0.094 1.00 0.00 H HETATM 55 H23 UNL 1 0.785 -2.651 -2.384 1.00 0.00 H HETATM 56 H24 UNL 1 1.844 -1.210 -1.776 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 32 36 CONECT 3 4 4 9 CONECT 4 5 37 CONECT 5 6 6 38 CONECT 6 7 39 CONECT 7 8 9 9 CONECT 8 40 CONECT 9 10 CONECT 10 11 11 12 CONECT 12 13 13 32 CONECT 13 14 15 CONECT 14 41 CONECT 15 16 17 29 CONECT 16 42 CONECT 17 18 18 19 CONECT 19 20 23 23 CONECT 20 21 22 22 CONECT 21 43 44 CONECT 23 24 25 CONECT 24 45 CONECT 25 26 29 46 CONECT 26 27 28 CONECT 27 47 48 49 CONECT 28 50 51 52 CONECT 29 30 53 CONECT 30 31 32 54 CONECT 31 55 CONECT 32 56 END