COMPND HMDB0251202 HETATM 1 C1 UNL 1 -2.202 -1.407 0.966 1.00 0.00 C HETATM 2 C2 UNL 1 -1.682 -0.459 -0.125 1.00 0.00 C HETATM 3 O1 UNL 1 -0.636 0.284 0.386 1.00 0.00 O HETATM 4 C3 UNL 1 0.680 0.241 0.024 1.00 0.00 C HETATM 5 C4 UNL 1 1.177 -0.593 -0.953 1.00 0.00 C HETATM 6 C5 UNL 1 2.537 -0.594 -1.282 1.00 0.00 C HETATM 7 C6 UNL 1 3.356 0.270 -0.592 1.00 0.00 C HETATM 8 CL1 UNL 1 5.062 0.281 -0.993 1.00 0.00 CL HETATM 9 C7 UNL 1 2.859 1.101 0.381 1.00 0.00 C HETATM 10 C8 UNL 1 1.528 1.115 0.717 1.00 0.00 C HETATM 11 CL2 UNL 1 0.917 2.181 1.959 1.00 0.00 CL HETATM 12 C9 UNL 1 -2.800 0.395 -0.621 1.00 0.00 C HETATM 13 O2 UNL 1 -3.815 -0.140 -1.110 1.00 0.00 O HETATM 14 O3 UNL 1 -2.701 1.754 -0.533 1.00 0.00 O HETATM 15 H1 UNL 1 -2.115 -0.922 1.970 1.00 0.00 H HETATM 16 H2 UNL 1 -3.271 -1.570 0.742 1.00 0.00 H HETATM 17 H3 UNL 1 -1.656 -2.368 0.952 1.00 0.00 H HETATM 18 H4 UNL 1 -1.332 -1.150 -0.919 1.00 0.00 H HETATM 19 H5 UNL 1 0.552 -1.276 -1.503 1.00 0.00 H HETATM 20 H6 UNL 1 2.911 -1.247 -2.043 1.00 0.00 H HETATM 21 H7 UNL 1 3.514 1.788 0.929 1.00 0.00 H HETATM 22 H8 UNL 1 -2.885 2.315 0.280 1.00 0.00 H CONECT 1 2 15 16 17 CONECT 2 3 12 18 CONECT 3 4 CONECT 4 5 5 10 CONECT 5 6 19 CONECT 6 7 7 20 CONECT 7 8 9 CONECT 9 10 10 21 CONECT 10 11 CONECT 12 13 13 14 CONECT 14 22 END