COMPND HMDB0000912 HETATM 1 O1 UNL 1 -3.911 1.274 -1.670 1.00 0.00 O HETATM 2 C1 UNL 1 -4.997 1.032 -1.104 1.00 0.00 C HETATM 3 O2 UNL 1 -6.108 1.762 -1.494 1.00 0.00 O HETATM 4 C2 UNL 1 -5.089 -0.015 -0.039 1.00 0.00 C HETATM 5 C3 UNL 1 -4.505 0.500 1.262 1.00 0.00 C HETATM 6 N1 UNL 1 -3.120 0.863 1.125 1.00 0.00 N HETATM 7 C4 UNL 1 -2.174 -0.114 0.738 1.00 0.00 C HETATM 8 N2 UNL 1 -2.492 -1.391 0.486 1.00 0.00 N HETATM 9 C5 UNL 1 -1.572 -2.299 0.120 1.00 0.00 C HETATM 10 N3 UNL 1 -0.277 -1.959 -0.010 1.00 0.00 N HETATM 11 C6 UNL 1 0.128 -0.700 0.224 1.00 0.00 C HETATM 12 C7 UNL 1 -0.819 0.220 0.597 1.00 0.00 C HETATM 13 N4 UNL 1 -0.206 1.392 0.775 1.00 0.00 N HETATM 14 C8 UNL 1 1.096 1.197 0.516 1.00 0.00 C HETATM 15 N5 UNL 1 1.330 -0.076 0.176 1.00 0.00 N HETATM 16 C9 UNL 1 2.579 -0.711 -0.180 1.00 0.00 C HETATM 17 O3 UNL 1 3.637 -0.318 0.626 1.00 0.00 O HETATM 18 C10 UNL 1 4.728 -0.068 -0.168 1.00 0.00 C HETATM 19 C11 UNL 1 5.736 0.832 0.488 1.00 0.00 C HETATM 20 O4 UNL 1 6.803 1.024 -0.404 1.00 0.00 O HETATM 21 C12 UNL 1 4.096 0.618 -1.361 1.00 0.00 C HETATM 22 O5 UNL 1 4.954 0.732 -2.431 1.00 0.00 O HETATM 23 C13 UNL 1 2.937 -0.323 -1.617 1.00 0.00 C HETATM 24 O6 UNL 1 3.338 -1.472 -2.263 1.00 0.00 O HETATM 25 C14 UNL 1 -4.626 -0.560 2.277 1.00 0.00 C HETATM 26 O7 UNL 1 -3.629 -1.021 2.872 1.00 0.00 O HETATM 27 O8 UNL 1 -5.875 -1.074 2.595 1.00 0.00 O HETATM 28 H1 UNL 1 -7.013 1.326 -1.540 1.00 0.00 H HETATM 29 H2 UNL 1 -4.653 -0.940 -0.403 1.00 0.00 H HETATM 30 H3 UNL 1 -6.171 -0.193 0.162 1.00 0.00 H HETATM 31 H4 UNL 1 -5.140 1.384 1.530 1.00 0.00 H HETATM 32 H5 UNL 1 -2.799 1.833 1.303 1.00 0.00 H HETATM 33 H6 UNL 1 -1.911 -3.332 -0.069 1.00 0.00 H HETATM 34 H7 UNL 1 1.889 1.942 0.563 1.00 0.00 H HETATM 35 H8 UNL 1 2.458 -1.799 -0.050 1.00 0.00 H HETATM 36 H9 UNL 1 5.204 -0.990 -0.542 1.00 0.00 H HETATM 37 H10 UNL 1 5.263 1.769 0.772 1.00 0.00 H HETATM 38 H11 UNL 1 6.164 0.272 1.351 1.00 0.00 H HETATM 39 H12 UNL 1 7.129 0.178 -0.757 1.00 0.00 H HETATM 40 H13 UNL 1 3.669 1.596 -1.035 1.00 0.00 H HETATM 41 H14 UNL 1 4.780 1.642 -2.834 1.00 0.00 H HETATM 42 H15 UNL 1 2.091 0.190 -2.112 1.00 0.00 H HETATM 43 H16 UNL 1 3.603 -2.216 -1.660 1.00 0.00 H HETATM 44 H17 UNL 1 -6.527 -0.557 3.181 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 28 CONECT 4 5 29 30 CONECT 5 6 25 31 CONECT 6 7 32 CONECT 7 8 8 12 CONECT 8 9 CONECT 9 10 10 33 CONECT 10 11 CONECT 11 12 12 15 CONECT 12 13 CONECT 13 14 14 CONECT 14 15 34 CONECT 15 16 CONECT 16 17 23 35 CONECT 17 18 CONECT 18 19 21 36 CONECT 19 20 37 38 CONECT 20 39 CONECT 21 22 23 40 CONECT 22 41 CONECT 23 24 42 CONECT 24 43 CONECT 25 26 26 27 CONECT 27 44 END