COMPND HMDB0036795 HETATM 1 O1 UNL 1 4.980 1.037 -1.878 1.00 0.00 O HETATM 2 S1 UNL 1 3.499 1.212 -2.023 1.00 0.00 S HETATM 3 O2 UNL 1 3.003 0.166 -2.980 1.00 0.00 O HETATM 4 O3 UNL 1 3.212 2.759 -2.596 1.00 0.00 O HETATM 5 C1 UNL 1 2.668 1.026 -0.473 1.00 0.00 C HETATM 6 C2 UNL 1 1.931 2.068 0.037 1.00 0.00 C HETATM 7 C3 UNL 1 1.270 1.921 1.261 1.00 0.00 C HETATM 8 C4 UNL 1 1.339 0.749 1.972 1.00 0.00 C HETATM 9 N1 UNL 1 0.686 0.565 3.208 1.00 0.00 N HETATM 10 N2 UNL 1 -0.527 0.288 3.234 1.00 0.00 N HETATM 11 C5 UNL 1 -1.264 0.155 2.038 1.00 0.00 C HETATM 12 C6 UNL 1 -1.772 1.265 1.416 1.00 0.00 C HETATM 13 C7 UNL 1 -2.505 1.156 0.228 1.00 0.00 C HETATM 14 S2 UNL 1 -3.168 2.552 -0.588 1.00 0.00 S HETATM 15 O4 UNL 1 -2.939 3.808 0.208 1.00 0.00 O HETATM 16 O5 UNL 1 -4.656 2.369 -0.675 1.00 0.00 O HETATM 17 O6 UNL 1 -2.572 2.700 -2.145 1.00 0.00 O HETATM 18 C8 UNL 1 -2.717 -0.087 -0.317 1.00 0.00 C HETATM 19 C9 UNL 1 -3.433 -0.247 -1.486 1.00 0.00 C HETATM 20 C10 UNL 1 -3.663 -1.466 -2.057 1.00 0.00 C HETATM 21 C11 UNL 1 -3.164 -2.598 -1.452 1.00 0.00 C HETATM 22 C12 UNL 1 -2.449 -2.459 -0.290 1.00 0.00 C HETATM 23 C13 UNL 1 -2.212 -1.243 0.293 1.00 0.00 C HETATM 24 C14 UNL 1 -1.490 -1.078 1.471 1.00 0.00 C HETATM 25 O7 UNL 1 -0.978 -2.162 2.107 1.00 0.00 O HETATM 26 C15 UNL 1 2.083 -0.297 1.453 1.00 0.00 C HETATM 27 C16 UNL 1 2.201 -1.502 2.108 1.00 0.00 C HETATM 28 C17 UNL 1 2.950 -2.514 1.560 1.00 0.00 C HETATM 29 C18 UNL 1 3.598 -2.382 0.371 1.00 0.00 C HETATM 30 C19 UNL 1 3.496 -1.186 -0.307 1.00 0.00 C HETATM 31 C20 UNL 1 2.743 -0.149 0.231 1.00 0.00 C HETATM 32 H1 UNL 1 3.788 2.864 -3.414 1.00 0.00 H HETATM 33 H2 UNL 1 1.888 2.982 -0.535 1.00 0.00 H HETATM 34 H3 UNL 1 0.706 2.757 1.627 1.00 0.00 H HETATM 35 H4 UNL 1 -1.633 2.262 1.805 1.00 0.00 H HETATM 36 H5 UNL 1 -3.268 3.004 -2.791 1.00 0.00 H HETATM 37 H6 UNL 1 -3.840 0.628 -1.990 1.00 0.00 H HETATM 38 H7 UNL 1 -4.233 -1.589 -2.988 1.00 0.00 H HETATM 39 H8 UNL 1 -3.348 -3.575 -1.910 1.00 0.00 H HETATM 40 H9 UNL 1 -2.076 -3.363 0.153 1.00 0.00 H HETATM 41 H10 UNL 1 -1.086 -3.090 1.778 1.00 0.00 H HETATM 42 H11 UNL 1 1.696 -1.618 3.045 1.00 0.00 H HETATM 43 H12 UNL 1 3.062 -3.486 2.061 1.00 0.00 H HETATM 44 H13 UNL 1 4.198 -3.168 -0.087 1.00 0.00 H HETATM 45 H14 UNL 1 3.997 -1.036 -1.258 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 3 4 5 CONECT 4 32 CONECT 5 6 6 31 CONECT 6 7 33 CONECT 7 8 8 34 CONECT 8 9 26 CONECT 9 10 10 CONECT 10 11 CONECT 11 12 12 24 CONECT 12 13 35 CONECT 13 14 18 18 CONECT 14 15 15 16 16 CONECT 14 17 CONECT 17 36 CONECT 18 19 23 CONECT 19 20 20 37 CONECT 20 21 38 CONECT 21 22 22 39 CONECT 22 23 40 CONECT 23 24 24 CONECT 24 25 CONECT 25 41 CONECT 26 27 27 31 CONECT 27 28 42 CONECT 28 29 29 43 CONECT 29 30 44 CONECT 30 31 31 45 END