COMPND HMDB0242448 HETATM 1 O1 UNL 1 -3.040 -0.185 0.903 1.00 0.00 O HETATM 2 C1 UNL 1 -2.082 -0.347 -0.125 1.00 0.00 C HETATM 3 C2 UNL 1 -1.829 0.992 -0.673 1.00 0.00 C HETATM 4 C3 UNL 1 -0.655 1.587 -0.749 1.00 0.00 C HETATM 5 C4 UNL 1 0.516 0.875 -0.251 1.00 0.00 C HETATM 6 C5 UNL 1 1.771 1.467 -0.312 1.00 0.00 C HETATM 7 C6 UNL 1 2.863 0.778 0.164 1.00 0.00 C HETATM 8 C7 UNL 1 2.725 -0.484 0.696 1.00 0.00 C HETATM 9 C8 UNL 1 1.495 -1.100 0.772 1.00 0.00 C HETATM 10 C9 UNL 1 0.393 -0.393 0.287 1.00 0.00 C HETATM 11 C10 UNL 1 -0.906 -1.077 0.382 1.00 0.00 C HETATM 12 O2 UNL 1 -0.781 -2.281 -0.350 1.00 0.00 O HETATM 13 H1 UNL 1 -3.962 -0.192 0.538 1.00 0.00 H HETATM 14 H2 UNL 1 -2.643 -0.914 -0.925 1.00 0.00 H HETATM 15 H3 UNL 1 -2.679 1.542 -1.049 1.00 0.00 H HETATM 16 H4 UNL 1 -0.558 2.578 -1.169 1.00 0.00 H HETATM 17 H5 UNL 1 1.823 2.458 -0.739 1.00 0.00 H HETATM 18 H6 UNL 1 3.830 1.256 0.106 1.00 0.00 H HETATM 19 H7 UNL 1 3.630 -0.994 1.063 1.00 0.00 H HETATM 20 H8 UNL 1 1.415 -2.091 1.195 1.00 0.00 H HETATM 21 H9 UNL 1 -1.031 -1.396 1.443 1.00 0.00 H HETATM 22 H10 UNL 1 -0.294 -2.079 -1.208 1.00 0.00 H CONECT 1 2 13 CONECT 2 3 11 14 CONECT 3 4 4 15 CONECT 4 5 16 CONECT 5 6 6 10 CONECT 6 7 17 CONECT 7 8 8 18 CONECT 8 9 19 CONECT 9 10 10 20 CONECT 10 11 CONECT 11 12 21 CONECT 12 22 END