COMPND HMDB0001545 HETATM 1 C1 UNL 1 -3.046 1.117 -0.423 1.00 0.00 C HETATM 2 C2 UNL 1 -1.592 0.808 -0.326 1.00 0.00 C HETATM 3 N1 UNL 1 -0.647 1.688 -0.664 1.00 0.00 N HETATM 4 C3 UNL 1 0.668 1.415 -0.579 1.00 0.00 C HETATM 5 C4 UNL 1 1.138 0.203 -0.136 1.00 0.00 C HETATM 6 C5 UNL 1 2.580 -0.120 -0.035 1.00 0.00 C HETATM 7 O1 UNL 1 3.381 0.919 -0.429 1.00 0.00 O HETATM 8 C6 UNL 1 0.182 -0.743 0.227 1.00 0.00 C HETATM 9 C7 UNL 1 0.680 -2.026 0.697 1.00 0.00 C HETATM 10 O2 UNL 1 -0.074 -2.941 1.046 1.00 0.00 O HETATM 11 C8 UNL 1 -1.163 -0.449 0.135 1.00 0.00 C HETATM 12 O3 UNL 1 -2.145 -1.326 0.472 1.00 0.00 O HETATM 13 H1 UNL 1 -3.607 0.306 -0.927 1.00 0.00 H HETATM 14 H2 UNL 1 -3.470 1.363 0.572 1.00 0.00 H HETATM 15 H3 UNL 1 -3.133 2.011 -1.081 1.00 0.00 H HETATM 16 H4 UNL 1 1.421 2.151 -0.861 1.00 0.00 H HETATM 17 H5 UNL 1 2.755 -1.057 -0.618 1.00 0.00 H HETATM 18 H6 UNL 1 2.825 -0.389 1.026 1.00 0.00 H HETATM 19 H7 UNL 1 3.612 1.511 0.345 1.00 0.00 H HETATM 20 H8 UNL 1 1.768 -2.201 0.748 1.00 0.00 H HETATM 21 H9 UNL 1 -2.133 -2.240 0.811 1.00 0.00 H CONECT 1 2 13 14 15 CONECT 2 3 3 11 CONECT 3 4 CONECT 4 5 5 16 CONECT 5 6 8 CONECT 6 7 17 18 CONECT 7 19 CONECT 8 9 11 11 CONECT 9 10 10 20 CONECT 11 12 CONECT 12 21 END