COMPND HMDB0015497 HETATM 1 C1 UNL 1 -5.221 -0.697 -0.134 1.00 0.00 C HETATM 2 O1 UNL 1 -4.074 -1.315 -0.721 1.00 0.00 O HETATM 3 C2 UNL 1 -2.833 -0.725 -0.458 1.00 0.00 C HETATM 4 C3 UNL 1 -1.714 -1.306 -1.015 1.00 0.00 C HETATM 5 C4 UNL 1 -0.436 -0.762 -0.790 1.00 0.00 C HETATM 6 C5 UNL 1 -0.317 0.348 -0.013 1.00 0.00 C HETATM 7 C6 UNL 1 0.964 0.971 0.220 1.00 0.00 C HETATM 8 O2 UNL 1 0.968 2.148 0.775 1.00 0.00 O HETATM 9 C7 UNL 1 2.268 0.468 -0.079 1.00 0.00 C HETATM 10 C8 UNL 1 3.266 1.359 -0.450 1.00 0.00 C HETATM 11 C9 UNL 1 4.550 0.944 -0.714 1.00 0.00 C HETATM 12 C10 UNL 1 4.896 -0.388 -0.619 1.00 0.00 C HETATM 13 C11 UNL 1 3.920 -1.285 -0.253 1.00 0.00 C HETATM 14 C12 UNL 1 2.624 -0.840 0.011 1.00 0.00 C HETATM 15 C13 UNL 1 -1.456 0.917 0.538 1.00 0.00 C HETATM 16 O3 UNL 1 -1.318 2.028 1.313 1.00 0.00 O HETATM 17 C14 UNL 1 -2.711 0.396 0.326 1.00 0.00 C HETATM 18 H1 UNL 1 -5.394 0.330 -0.556 1.00 0.00 H HETATM 19 H2 UNL 1 -6.145 -1.262 -0.347 1.00 0.00 H HETATM 20 H3 UNL 1 -5.016 -0.633 0.955 1.00 0.00 H HETATM 21 H4 UNL 1 -1.816 -2.185 -1.630 1.00 0.00 H HETATM 22 H5 UNL 1 0.377 -1.259 -1.273 1.00 0.00 H HETATM 23 H6 UNL 1 3.012 2.426 -0.531 1.00 0.00 H HETATM 24 H7 UNL 1 5.279 1.699 -0.998 1.00 0.00 H HETATM 25 H8 UNL 1 5.921 -0.715 -0.831 1.00 0.00 H HETATM 26 H9 UNL 1 4.190 -2.331 -0.177 1.00 0.00 H HETATM 27 H10 UNL 1 1.940 -1.624 0.316 1.00 0.00 H HETATM 28 H11 UNL 1 -2.120 2.469 1.731 1.00 0.00 H HETATM 29 H12 UNL 1 -3.606 0.824 0.744 1.00 0.00 H CONECT 1 2 18 19 20 CONECT 2 3 CONECT 3 4 4 17 CONECT 4 5 21 CONECT 5 6 6 22 CONECT 6 7 15 CONECT 7 8 8 9 CONECT 9 10 10 14 CONECT 10 11 23 CONECT 11 12 12 24 CONECT 12 13 25 CONECT 13 14 14 26 CONECT 14 27 CONECT 15 16 17 17 CONECT 16 28 CONECT 17 29 END