COMPND HMDB0037512 HETATM 1 O1 UNL 1 9.585 1.659 1.098 1.00 0.00 O HETATM 2 S1 UNL 1 8.402 2.179 1.849 1.00 0.00 S HETATM 3 O2 UNL 1 8.465 1.838 3.318 1.00 0.00 O HETATM 4 O3 UNL 1 8.407 3.868 1.717 1.00 0.00 O HETATM 5 C1 UNL 1 6.920 1.574 1.142 1.00 0.00 C HETATM 6 C2 UNL 1 5.964 2.391 0.589 1.00 0.00 C HETATM 7 C3 UNL 1 4.825 1.837 0.051 1.00 0.00 C HETATM 8 C4 UNL 1 4.589 0.477 0.040 1.00 0.00 C HETATM 9 N1 UNL 1 3.437 -0.127 -0.499 1.00 0.00 N HETATM 10 N2 UNL 1 2.270 0.007 -0.077 1.00 0.00 N HETATM 11 C5 UNL 1 1.172 -0.652 -0.699 1.00 0.00 C HETATM 12 C6 UNL 1 1.316 -1.440 -1.824 1.00 0.00 C HETATM 13 C7 UNL 1 0.262 -2.079 -2.430 1.00 0.00 C HETATM 14 C8 UNL 1 0.425 -2.926 -3.642 1.00 0.00 C HETATM 15 O4 UNL 1 1.782 -2.908 -3.972 1.00 0.00 O HETATM 16 C9 UNL 1 -1.007 -1.944 -1.911 1.00 0.00 C HETATM 17 O5 UNL 1 -2.073 -2.592 -2.527 1.00 0.00 O HETATM 18 C10 UNL 1 -1.203 -1.155 -0.772 1.00 0.00 C HETATM 19 N3 UNL 1 -2.515 -1.017 -0.238 1.00 0.00 N HETATM 20 N4 UNL 1 -3.496 -0.545 -0.838 1.00 0.00 N HETATM 21 C11 UNL 1 -4.799 -0.402 -0.323 1.00 0.00 C HETATM 22 C12 UNL 1 -5.589 -1.433 0.098 1.00 0.00 C HETATM 23 C13 UNL 1 -6.868 -1.225 0.597 1.00 0.00 C HETATM 24 C14 UNL 1 -7.367 0.061 0.675 1.00 0.00 C HETATM 25 S2 UNL 1 -8.973 0.360 1.299 1.00 0.00 S HETATM 26 O6 UNL 1 -8.920 1.233 2.524 1.00 0.00 O HETATM 27 O7 UNL 1 -9.633 -0.953 1.645 1.00 0.00 O HETATM 28 O8 UNL 1 -9.943 1.111 0.152 1.00 0.00 O HETATM 29 C15 UNL 1 -6.591 1.108 0.259 1.00 0.00 C HETATM 30 C16 UNL 1 -7.079 2.397 0.332 1.00 0.00 C HETATM 31 C17 UNL 1 -6.323 3.483 -0.080 1.00 0.00 C HETATM 32 C18 UNL 1 -5.051 3.260 -0.575 1.00 0.00 C HETATM 33 C19 UNL 1 -4.592 1.971 -0.637 1.00 0.00 C HETATM 34 C20 UNL 1 -5.321 0.877 -0.235 1.00 0.00 C HETATM 35 C21 UNL 1 -0.107 -0.529 -0.196 1.00 0.00 C HETATM 36 O9 UNL 1 -0.364 0.243 0.937 1.00 0.00 O HETATM 37 C22 UNL 1 5.550 -0.341 0.596 1.00 0.00 C HETATM 38 C23 UNL 1 5.393 -1.713 0.626 1.00 0.00 C HETATM 39 C24 UNL 1 6.335 -2.543 1.173 1.00 0.00 C HETATM 40 C25 UNL 1 7.463 -1.994 1.704 1.00 0.00 C HETATM 41 C26 UNL 1 7.664 -0.626 1.698 1.00 0.00 C HETATM 42 C27 UNL 1 6.712 0.212 1.144 1.00 0.00 C HETATM 43 H1 UNL 1 8.581 4.046 0.746 1.00 0.00 H HETATM 44 H2 UNL 1 6.165 3.459 0.605 1.00 0.00 H HETATM 45 H3 UNL 1 4.095 2.512 -0.375 1.00 0.00 H HETATM 46 H4 UNL 1 2.303 -1.561 -2.249 1.00 0.00 H HETATM 47 H5 UNL 1 0.054 -3.952 -3.460 1.00 0.00 H HETATM 48 H6 UNL 1 -0.131 -2.426 -4.467 1.00 0.00 H HETATM 49 H7 UNL 1 2.335 -3.390 -3.329 1.00 0.00 H HETATM 50 H8 UNL 1 -2.994 -2.479 -2.129 1.00 0.00 H HETATM 51 H9 UNL 1 -5.229 -2.428 0.048 1.00 0.00 H HETATM 52 H10 UNL 1 -7.507 -2.015 0.934 1.00 0.00 H HETATM 53 H11 UNL 1 -10.217 0.418 -0.523 1.00 0.00 H HETATM 54 H12 UNL 1 -8.075 2.613 0.716 1.00 0.00 H HETATM 55 H13 UNL 1 -6.691 4.492 -0.028 1.00 0.00 H HETATM 56 H14 UNL 1 -4.425 4.082 -0.909 1.00 0.00 H HETATM 57 H15 UNL 1 -3.579 1.801 -1.032 1.00 0.00 H HETATM 58 H16 UNL 1 -1.260 0.364 1.338 1.00 0.00 H HETATM 59 H17 UNL 1 4.481 -2.113 0.192 1.00 0.00 H HETATM 60 H18 UNL 1 6.150 -3.606 1.164 1.00 0.00 H HETATM 61 H19 UNL 1 8.238 -2.611 2.149 1.00 0.00 H HETATM 62 H20 UNL 1 8.581 -0.206 2.131 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 3 4 5 CONECT 4 43 CONECT 5 6 6 42 CONECT 6 7 44 CONECT 7 8 8 45 CONECT 8 9 37 CONECT 9 10 10 CONECT 10 11 CONECT 11 12 12 35 CONECT 12 13 46 CONECT 13 14 16 16 CONECT 14 15 47 48 CONECT 15 49 CONECT 16 17 18 CONECT 17 50 CONECT 18 19 35 35 CONECT 19 20 20 CONECT 20 21 CONECT 21 22 22 34 CONECT 22 23 51 CONECT 23 24 24 52 CONECT 24 25 29 CONECT 25 26 26 27 27 CONECT 25 28 CONECT 28 53 CONECT 29 30 30 34 CONECT 30 31 54 CONECT 31 32 32 55 CONECT 32 33 56 CONECT 33 34 34 57 CONECT 35 36 CONECT 36 58 CONECT 37 38 38 42 CONECT 38 39 59 CONECT 39 40 40 60 CONECT 40 41 61 CONECT 41 42 42 62 END