COMPND HMDB0258301 HETATM 1 C1 UNL 1 -1.930 -3.229 -1.604 1.00 0.00 C HETATM 2 O1 UNL 1 -2.274 -1.893 -1.428 1.00 0.00 O HETATM 3 C2 UNL 1 -1.483 -0.929 -0.857 1.00 0.00 C HETATM 4 C3 UNL 1 -0.229 -1.242 -0.397 1.00 0.00 C HETATM 5 C4 UNL 1 0.625 -0.323 0.189 1.00 0.00 C HETATM 6 C5 UNL 1 1.946 -0.714 0.658 1.00 0.00 C HETATM 7 C6 UNL 1 2.797 0.088 1.216 1.00 0.00 C HETATM 8 C7 UNL 1 4.097 -0.393 1.654 1.00 0.00 C HETATM 9 O2 UNL 1 4.969 0.331 2.201 1.00 0.00 O HETATM 10 C8 UNL 1 0.189 0.957 0.312 1.00 0.00 C HETATM 11 C9 UNL 1 -1.059 1.329 -0.131 1.00 0.00 C HETATM 12 O3 UNL 1 -1.444 2.648 0.024 1.00 0.00 O HETATM 13 C10 UNL 1 -0.643 3.631 0.603 1.00 0.00 C HETATM 14 C11 UNL 1 -1.885 0.381 -0.712 1.00 0.00 C HETATM 15 O4 UNL 1 -3.128 0.798 -1.142 1.00 0.00 O HETATM 16 H1 UNL 1 -2.499 -3.732 -2.413 1.00 0.00 H HETATM 17 H2 UNL 1 -0.856 -3.396 -1.856 1.00 0.00 H HETATM 18 H3 UNL 1 -2.157 -3.780 -0.664 1.00 0.00 H HETATM 19 H4 UNL 1 0.130 -2.252 -0.488 1.00 0.00 H HETATM 20 H5 UNL 1 2.245 -1.768 0.531 1.00 0.00 H HETATM 21 H6 UNL 1 2.620 1.151 1.396 1.00 0.00 H HETATM 22 H7 UNL 1 4.336 -1.435 1.504 1.00 0.00 H HETATM 23 H8 UNL 1 0.805 1.719 0.759 1.00 0.00 H HETATM 24 H9 UNL 1 0.156 3.941 -0.118 1.00 0.00 H HETATM 25 H10 UNL 1 -1.296 4.536 0.761 1.00 0.00 H HETATM 26 H11 UNL 1 -0.221 3.359 1.577 1.00 0.00 H HETATM 27 H12 UNL 1 -3.812 0.215 -1.575 1.00 0.00 H CONECT 1 2 16 17 18 CONECT 2 3 CONECT 3 4 4 14 CONECT 4 5 19 CONECT 5 6 10 10 CONECT 6 7 7 20 CONECT 7 8 21 CONECT 8 9 9 22 CONECT 10 11 23 CONECT 11 12 14 14 CONECT 12 13 CONECT 13 24 25 26 CONECT 14 15 CONECT 15 27 END