COMPND HMDB0036613 HETATM 1 O1 UNL 1 2.008 -1.455 -2.065 1.00 0.00 O HETATM 2 C1 UNL 1 2.015 -0.254 -1.696 1.00 0.00 C HETATM 3 O2 UNL 1 1.721 0.715 -2.637 1.00 0.00 O HETATM 4 C2 UNL 1 2.331 0.039 -0.304 1.00 0.00 C HETATM 5 C3 UNL 1 3.658 0.248 0.017 1.00 0.00 C HETATM 6 CL1 UNL 1 4.889 0.155 -1.241 1.00 0.00 CL HETATM 7 C4 UNL 1 3.976 0.527 1.331 1.00 0.00 C HETATM 8 CL2 UNL 1 5.651 0.796 1.760 1.00 0.00 CL HETATM 9 C5 UNL 1 2.966 0.586 2.270 1.00 0.00 C HETATM 10 CL3 UNL 1 3.356 0.941 3.953 1.00 0.00 CL HETATM 11 C6 UNL 1 1.644 0.376 1.942 1.00 0.00 C HETATM 12 CL4 UNL 1 0.394 0.462 3.177 1.00 0.00 CL HETATM 13 C7 UNL 1 1.311 0.094 0.622 1.00 0.00 C HETATM 14 C8 UNL 1 -0.081 -0.128 0.270 1.00 0.00 C HETATM 15 C9 UNL 1 -0.599 -1.404 0.322 1.00 0.00 C HETATM 16 C10 UNL 1 0.148 -2.489 0.696 1.00 0.00 C HETATM 17 C11 UNL 1 -0.415 -3.752 0.733 1.00 0.00 C HETATM 18 I1 UNL 1 0.818 -5.356 1.321 1.00 0.00 I HETATM 19 C12 UNL 1 -1.735 -3.910 0.392 1.00 0.00 C HETATM 20 O3 UNL 1 -2.236 -5.077 0.432 1.00 0.00 O HETATM 21 C13 UNL 1 -2.559 -2.893 0.007 1.00 0.00 C HETATM 22 I2 UNL 1 -4.587 -3.186 -0.510 1.00 0.00 I HETATM 23 C14 UNL 1 -2.019 -1.611 -0.040 1.00 0.00 C HETATM 24 O4 UNL 1 -2.756 -0.589 -0.401 1.00 0.00 O HETATM 25 C15 UNL 1 -2.260 0.626 -0.449 1.00 0.00 C HETATM 26 C16 UNL 1 -3.042 1.697 -0.830 1.00 0.00 C HETATM 27 I3 UNL 1 -5.076 1.389 -1.347 1.00 0.00 I HETATM 28 C17 UNL 1 -2.582 2.994 -0.902 1.00 0.00 C HETATM 29 O5 UNL 1 -3.427 4.050 -1.298 1.00 0.00 O HETATM 30 C18 UNL 1 -1.265 3.239 -0.574 1.00 0.00 C HETATM 31 I4 UNL 1 -0.556 5.218 -0.681 1.00 0.00 I HETATM 32 C19 UNL 1 -0.452 2.185 -0.187 1.00 0.00 C HETATM 33 C20 UNL 1 -0.924 0.891 -0.119 1.00 0.00 C HETATM 34 H1 UNL 1 2.312 0.904 -3.444 1.00 0.00 H HETATM 35 H2 UNL 1 1.180 -2.321 0.956 1.00 0.00 H HETATM 36 H3 UNL 1 -4.388 3.883 -1.538 1.00 0.00 H HETATM 37 H4 UNL 1 0.580 2.411 0.064 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 34 CONECT 4 5 5 13 CONECT 5 6 7 CONECT 7 8 9 9 CONECT 9 10 11 CONECT 11 12 13 13 CONECT 13 14 CONECT 14 15 15 33 CONECT 15 16 23 CONECT 16 17 17 35 CONECT 17 18 19 CONECT 19 20 20 21 CONECT 21 22 23 23 CONECT 23 24 CONECT 24 25 CONECT 25 26 26 33 CONECT 26 27 28 CONECT 28 29 30 30 CONECT 29 36 CONECT 30 31 32 CONECT 32 33 33 37 END