COMPND HMDB0256443 HETATM 1 N1 UNL 1 -2.013 -1.995 -1.438 1.00 0.00 N HETATM 2 C1 UNL 1 -1.282 -1.212 -0.408 1.00 0.00 C HETATM 3 C2 UNL 1 0.106 -1.123 -0.851 1.00 0.00 C HETATM 4 C3 UNL 1 1.092 -0.420 -0.058 1.00 0.00 C HETATM 5 C4 UNL 1 1.326 0.917 -0.311 1.00 0.00 C HETATM 6 C5 UNL 1 2.248 1.660 0.399 1.00 0.00 C HETATM 7 C6 UNL 1 2.978 1.083 1.402 1.00 0.00 C HETATM 8 C7 UNL 1 2.769 -0.248 1.679 1.00 0.00 C HETATM 9 C8 UNL 1 1.843 -0.969 0.956 1.00 0.00 C HETATM 10 C9 UNL 1 -2.054 0.078 -0.338 1.00 0.00 C HETATM 11 O1 UNL 1 -2.021 0.698 -1.581 1.00 0.00 O HETATM 12 C10 UNL 1 -1.682 0.940 0.790 1.00 0.00 C HETATM 13 O2 UNL 1 -1.611 0.419 1.930 1.00 0.00 O HETATM 14 O3 UNL 1 -1.419 2.272 0.612 1.00 0.00 O HETATM 15 H1 UNL 1 -2.082 -1.346 -2.255 1.00 0.00 H HETATM 16 H2 UNL 1 -1.344 -2.748 -1.731 1.00 0.00 H HETATM 17 H3 UNL 1 -1.473 -1.756 0.533 1.00 0.00 H HETATM 18 H4 UNL 1 0.524 -2.154 -1.062 1.00 0.00 H HETATM 19 H5 UNL 1 0.104 -0.655 -1.884 1.00 0.00 H HETATM 20 H6 UNL 1 0.787 1.458 -1.094 1.00 0.00 H HETATM 21 H7 UNL 1 2.435 2.717 0.201 1.00 0.00 H HETATM 22 H8 UNL 1 3.705 1.668 1.962 1.00 0.00 H HETATM 23 H9 UNL 1 3.341 -0.717 2.470 1.00 0.00 H HETATM 24 H10 UNL 1 1.700 -2.003 1.193 1.00 0.00 H HETATM 25 H11 UNL 1 -3.136 -0.232 -0.124 1.00 0.00 H HETATM 26 H12 UNL 1 -2.897 0.631 -2.021 1.00 0.00 H HETATM 27 H13 UNL 1 -1.944 3.037 1.027 1.00 0.00 H CONECT 1 2 15 16 CONECT 2 3 10 17 CONECT 3 4 18 19 CONECT 4 5 5 9 CONECT 5 6 20 CONECT 6 7 7 21 CONECT 7 8 22 CONECT 8 9 9 23 CONECT 9 24 CONECT 10 11 12 25 CONECT 11 26 CONECT 12 13 13 14 CONECT 14 27 END