COMPND HMDB0033319 HETATM 1 C1 UNL 1 5.736 2.018 0.838 1.00 0.00 C HETATM 2 C2 UNL 1 6.360 0.832 0.291 1.00 0.00 C HETATM 3 C3 UNL 1 5.710 -0.209 -0.113 1.00 0.00 C HETATM 4 C4 UNL 1 4.285 -0.427 -0.124 1.00 0.00 C HETATM 5 C5 UNL 1 3.872 -1.766 -0.276 1.00 0.00 C HETATM 6 C6 UNL 1 2.560 -2.141 -0.351 1.00 0.00 C HETATM 7 O1 UNL 1 2.243 -3.478 -0.500 1.00 0.00 O HETATM 8 C7 UNL 1 3.266 -4.427 -0.572 1.00 0.00 C HETATM 9 C8 UNL 1 1.580 -1.171 -0.275 1.00 0.00 C HETATM 10 C9 UNL 1 1.931 0.133 -0.129 1.00 0.00 C HETATM 11 C10 UNL 1 3.281 0.502 -0.055 1.00 0.00 C HETATM 12 C11 UNL 1 0.697 0.956 -0.078 1.00 0.00 C HETATM 13 C12 UNL 1 0.424 1.273 1.368 1.00 0.00 C HETATM 14 C13 UNL 1 -0.299 -0.008 -0.668 1.00 0.00 C HETATM 15 C14 UNL 1 -1.682 0.244 -0.279 1.00 0.00 C HETATM 16 C15 UNL 1 -2.542 0.844 -1.171 1.00 0.00 C HETATM 17 C16 UNL 1 -3.869 1.112 -0.865 1.00 0.00 C HETATM 18 O2 UNL 1 -4.742 1.716 -1.759 1.00 0.00 O HETATM 19 C17 UNL 1 -4.391 2.118 -3.049 1.00 0.00 C HETATM 20 C18 UNL 1 -4.342 0.762 0.385 1.00 0.00 C HETATM 21 O3 UNL 1 -5.660 1.028 0.689 1.00 0.00 O HETATM 22 C19 UNL 1 -6.735 0.169 0.472 1.00 0.00 C HETATM 23 C20 UNL 1 -3.467 0.162 1.266 1.00 0.00 C HETATM 24 O4 UNL 1 -3.965 -0.186 2.527 1.00 0.00 O HETATM 25 C21 UNL 1 -3.127 -0.808 3.491 1.00 0.00 C HETATM 26 C22 UNL 1 -2.148 -0.107 0.967 1.00 0.00 C HETATM 27 O5 UNL 1 0.174 -1.291 -0.324 1.00 0.00 O HETATM 28 H1 UNL 1 4.968 1.768 1.618 1.00 0.00 H HETATM 29 H2 UNL 1 6.540 2.612 1.412 1.00 0.00 H HETATM 30 H3 UNL 1 5.363 2.754 0.131 1.00 0.00 H HETATM 31 H4 UNL 1 7.460 0.809 0.209 1.00 0.00 H HETATM 32 H5 UNL 1 6.343 -1.046 -0.520 1.00 0.00 H HETATM 33 H6 UNL 1 4.627 -2.548 -0.335 1.00 0.00 H HETATM 34 H7 UNL 1 2.918 -5.460 -0.622 1.00 0.00 H HETATM 35 H8 UNL 1 3.848 -4.341 0.391 1.00 0.00 H HETATM 36 H9 UNL 1 3.947 -4.156 -1.421 1.00 0.00 H HETATM 37 H10 UNL 1 3.522 1.543 0.022 1.00 0.00 H HETATM 38 H11 UNL 1 0.768 1.895 -0.630 1.00 0.00 H HETATM 39 H12 UNL 1 1.165 2.047 1.671 1.00 0.00 H HETATM 40 H13 UNL 1 0.669 0.370 1.962 1.00 0.00 H HETATM 41 H14 UNL 1 -0.567 1.688 1.560 1.00 0.00 H HETATM 42 H15 UNL 1 -0.174 0.069 -1.789 1.00 0.00 H HETATM 43 H16 UNL 1 -2.157 1.120 -2.165 1.00 0.00 H HETATM 44 H17 UNL 1 -4.001 3.156 -3.087 1.00 0.00 H HETATM 45 H18 UNL 1 -5.266 2.098 -3.754 1.00 0.00 H HETATM 46 H19 UNL 1 -3.624 1.479 -3.533 1.00 0.00 H HETATM 47 H20 UNL 1 -7.044 0.096 -0.590 1.00 0.00 H HETATM 48 H21 UNL 1 -6.611 -0.839 0.922 1.00 0.00 H HETATM 49 H22 UNL 1 -7.624 0.619 1.004 1.00 0.00 H HETATM 50 H23 UNL 1 -2.373 -0.069 3.801 1.00 0.00 H HETATM 51 H24 UNL 1 -2.611 -1.698 3.026 1.00 0.00 H HETATM 52 H25 UNL 1 -3.714 -1.231 4.326 1.00 0.00 H HETATM 53 H26 UNL 1 -1.520 -0.582 1.715 1.00 0.00 H CONECT 1 2 28 29 30 CONECT 2 3 3 31 CONECT 3 4 32 CONECT 4 5 5 11 CONECT 5 6 33 CONECT 6 7 9 9 CONECT 7 8 CONECT 8 34 35 36 CONECT 9 10 27 CONECT 10 11 11 12 CONECT 11 37 CONECT 12 13 14 38 CONECT 13 39 40 41 CONECT 14 15 27 42 CONECT 15 16 16 26 CONECT 16 17 43 CONECT 17 18 20 20 CONECT 18 19 CONECT 19 44 45 46 CONECT 20 21 23 CONECT 21 22 CONECT 22 47 48 49 CONECT 23 24 26 26 CONECT 24 25 CONECT 25 50 51 52 CONECT 26 53 END