COMPND HMDB0041943 HETATM 1 C1 UNL 1 3.371 1.156 1.080 1.00 0.00 C HETATM 2 C2 UNL 1 2.885 0.316 -0.035 1.00 0.00 C HETATM 3 O1 UNL 1 3.511 0.465 -1.259 1.00 0.00 O HETATM 4 N1 UNL 1 1.937 -0.528 0.059 1.00 0.00 N HETATM 5 C3 UNL 1 1.439 -1.356 -0.989 1.00 0.00 C HETATM 6 C4 UNL 1 0.153 -1.993 -0.526 1.00 0.00 C HETATM 7 C5 UNL 1 -0.890 -1.022 -0.183 1.00 0.00 C HETATM 8 C6 UNL 1 -0.980 -0.543 1.115 1.00 0.00 C HETATM 9 C7 UNL 1 -1.939 0.372 1.500 1.00 0.00 C HETATM 10 C8 UNL 1 -2.852 0.842 0.577 1.00 0.00 C HETATM 11 O2 UNL 1 -3.840 1.773 0.942 1.00 0.00 O HETATM 12 C9 UNL 1 -2.774 0.374 -0.717 1.00 0.00 C HETATM 13 O3 UNL 1 -3.704 0.860 -1.633 1.00 0.00 O HETATM 14 C10 UNL 1 -1.816 -0.533 -1.081 1.00 0.00 C HETATM 15 H1 UNL 1 4.465 1.017 1.257 1.00 0.00 H HETATM 16 H2 UNL 1 3.159 2.223 0.786 1.00 0.00 H HETATM 17 H3 UNL 1 2.860 0.982 2.025 1.00 0.00 H HETATM 18 H4 UNL 1 3.640 1.346 -1.735 1.00 0.00 H HETATM 19 H5 UNL 1 2.169 -2.200 -1.130 1.00 0.00 H HETATM 20 H6 UNL 1 1.356 -0.835 -1.950 1.00 0.00 H HETATM 21 H7 UNL 1 -0.195 -2.732 -1.267 1.00 0.00 H HETATM 22 H8 UNL 1 0.399 -2.572 0.397 1.00 0.00 H HETATM 23 H9 UNL 1 -0.261 -0.913 1.841 1.00 0.00 H HETATM 24 H10 UNL 1 -2.027 0.758 2.506 1.00 0.00 H HETATM 25 H11 UNL 1 -3.888 2.109 1.892 1.00 0.00 H HETATM 26 H12 UNL 1 -4.412 1.524 -1.386 1.00 0.00 H HETATM 27 H13 UNL 1 -1.766 -0.888 -2.088 1.00 0.00 H CONECT 1 2 15 16 17 CONECT 2 3 4 4 CONECT 3 18 CONECT 4 5 CONECT 5 6 19 20 CONECT 6 7 21 22 CONECT 7 8 8 14 CONECT 8 9 23 CONECT 9 10 10 24 CONECT 10 11 12 CONECT 11 25 CONECT 12 13 14 14 CONECT 13 26 CONECT 14 27 END