COMPND HMDB0030090 HETATM 1 C1 UNL 1 -4.409 2.556 -0.374 1.00 0.00 C HETATM 2 O1 UNL 1 -4.580 1.195 -0.675 1.00 0.00 O HETATM 3 C2 UNL 1 -3.561 0.268 -0.532 1.00 0.00 C HETATM 4 C3 UNL 1 -3.792 -1.051 -0.844 1.00 0.00 C HETATM 5 C4 UNL 1 -2.763 -1.935 -0.690 1.00 0.00 C HETATM 6 O2 UNL 1 -2.914 -3.278 -0.982 1.00 0.00 O HETATM 7 C5 UNL 1 -1.530 -1.513 -0.234 1.00 0.00 C HETATM 8 C6 UNL 1 -1.301 -0.183 0.080 1.00 0.00 C HETATM 9 C7 UNL 1 -2.340 0.713 -0.075 1.00 0.00 C HETATM 10 O3 UNL 1 -0.072 0.229 0.533 1.00 0.00 O HETATM 11 C8 UNL 1 0.979 -0.678 0.855 1.00 0.00 C HETATM 12 C9 UNL 1 2.254 0.053 0.594 1.00 0.00 C HETATM 13 C10 UNL 1 2.387 0.779 -0.563 1.00 0.00 C HETATM 14 C11 UNL 1 3.555 1.455 -0.812 1.00 0.00 C HETATM 15 C12 UNL 1 4.581 1.399 0.097 1.00 0.00 C HETATM 16 O4 UNL 1 5.785 2.083 -0.138 1.00 0.00 O HETATM 17 C13 UNL 1 4.431 0.665 1.255 1.00 0.00 C HETATM 18 C14 UNL 1 3.272 -0.008 1.508 1.00 0.00 C HETATM 19 C15 UNL 1 0.955 -1.869 -0.081 1.00 0.00 C HETATM 20 C16 UNL 1 -0.411 -2.434 -0.059 1.00 0.00 C HETATM 21 O5 UNL 1 -0.650 -3.657 0.103 1.00 0.00 O HETATM 22 H1 UNL 1 -4.288 2.617 0.746 1.00 0.00 H HETATM 23 H2 UNL 1 -5.344 3.080 -0.671 1.00 0.00 H HETATM 24 H3 UNL 1 -3.504 3.002 -0.814 1.00 0.00 H HETATM 25 H4 UNL 1 -4.758 -1.416 -1.207 1.00 0.00 H HETATM 26 H5 UNL 1 -3.756 -3.687 -1.315 1.00 0.00 H HETATM 27 H6 UNL 1 -2.211 1.752 0.154 1.00 0.00 H HETATM 28 H7 UNL 1 0.884 -0.977 1.918 1.00 0.00 H HETATM 29 H8 UNL 1 1.577 0.834 -1.300 1.00 0.00 H HETATM 30 H9 UNL 1 3.643 2.023 -1.731 1.00 0.00 H HETATM 31 H10 UNL 1 6.528 2.030 0.543 1.00 0.00 H HETATM 32 H11 UNL 1 5.238 0.619 1.975 1.00 0.00 H HETATM 33 H12 UNL 1 3.170 -0.580 2.420 1.00 0.00 H HETATM 34 H13 UNL 1 1.724 -2.583 0.241 1.00 0.00 H HETATM 35 H14 UNL 1 1.220 -1.504 -1.090 1.00 0.00 H CONECT 1 2 22 23 24 CONECT 2 3 CONECT 3 4 4 9 CONECT 4 5 25 CONECT 5 6 7 7 CONECT 6 26 CONECT 7 8 20 CONECT 8 9 9 10 CONECT 9 27 CONECT 10 11 CONECT 11 12 19 28 CONECT 12 13 13 18 CONECT 13 14 29 CONECT 14 15 15 30 CONECT 15 16 17 CONECT 16 31 CONECT 17 18 18 32 CONECT 18 33 CONECT 19 20 34 35 CONECT 20 21 21 END