COMPND HMDB0040622 HETATM 1 C1 UNL 1 -5.107 -3.815 -1.548 1.00 0.00 C HETATM 2 C2 UNL 1 -3.783 -3.175 -1.328 1.00 0.00 C HETATM 3 O1 UNL 1 -2.774 -3.867 -1.680 1.00 0.00 O HETATM 4 C3 UNL 1 -3.608 -1.870 -0.751 1.00 0.00 C HETATM 5 C4 UNL 1 -4.684 -1.073 -0.360 1.00 0.00 C HETATM 6 O2 UNL 1 -5.916 -1.702 -0.417 1.00 0.00 O HETATM 7 C5 UNL 1 -4.524 0.225 0.051 1.00 0.00 C HETATM 8 C6 UNL 1 -3.219 0.737 0.059 1.00 0.00 C HETATM 9 O3 UNL 1 -3.077 2.024 0.472 1.00 0.00 O HETATM 10 C7 UNL 1 -2.114 0.000 -0.314 1.00 0.00 C HETATM 11 C8 UNL 1 -0.773 0.723 -0.436 1.00 0.00 C HETATM 12 O4 UNL 1 -0.945 1.969 -0.743 1.00 0.00 O HETATM 13 C9 UNL 1 -0.266 2.938 0.012 1.00 0.00 C HETATM 14 C10 UNL 1 -0.892 4.260 -0.353 1.00 0.00 C HETATM 15 O5 UNL 1 -0.428 5.356 0.386 1.00 0.00 O HETATM 16 C11 UNL 1 -0.140 2.668 1.455 1.00 0.00 C HETATM 17 O6 UNL 1 0.942 3.404 2.001 1.00 0.00 O HETATM 18 C12 UNL 1 0.019 1.210 1.848 1.00 0.00 C HETATM 19 O7 UNL 1 -1.086 0.867 2.631 1.00 0.00 O HETATM 20 C13 UNL 1 0.138 0.241 0.694 1.00 0.00 C HETATM 21 O8 UNL 1 1.448 0.031 0.480 1.00 0.00 O HETATM 22 C14 UNL 1 2.146 -0.729 -0.401 1.00 0.00 C HETATM 23 O9 UNL 1 1.571 -1.283 -1.345 1.00 0.00 O HETATM 24 C15 UNL 1 3.615 -0.986 -0.341 1.00 0.00 C HETATM 25 C16 UNL 1 4.152 -1.239 0.903 1.00 0.00 C HETATM 26 C17 UNL 1 5.502 -1.497 0.997 1.00 0.00 C HETATM 27 O10 UNL 1 6.067 -1.744 2.248 1.00 0.00 O HETATM 28 C18 UNL 1 6.303 -1.519 -0.109 1.00 0.00 C HETATM 29 O11 UNL 1 7.694 -1.811 0.052 1.00 0.00 O HETATM 30 C19 UNL 1 5.769 -1.266 -1.367 1.00 0.00 C HETATM 31 O12 UNL 1 6.562 -1.283 -2.462 1.00 0.00 O HETATM 32 C20 UNL 1 4.405 -0.997 -1.437 1.00 0.00 C HETATM 33 C21 UNL 1 -2.338 -1.312 -0.710 1.00 0.00 C HETATM 34 O13 UNL 1 -1.315 -2.075 -1.062 1.00 0.00 O HETATM 35 H1 UNL 1 -5.679 -3.942 -0.627 1.00 0.00 H HETATM 36 H2 UNL 1 -5.766 -3.200 -2.232 1.00 0.00 H HETATM 37 H3 UNL 1 -4.934 -4.843 -1.985 1.00 0.00 H HETATM 38 H4 UNL 1 -6.784 -1.199 -0.120 1.00 0.00 H HETATM 39 H5 UNL 1 -5.331 0.853 0.340 1.00 0.00 H HETATM 40 H6 UNL 1 -3.878 2.538 0.848 1.00 0.00 H HETATM 41 H7 UNL 1 -0.352 0.218 -1.391 1.00 0.00 H HETATM 42 H8 UNL 1 0.781 2.956 -0.470 1.00 0.00 H HETATM 43 H9 UNL 1 -1.960 4.240 -0.461 1.00 0.00 H HETATM 44 H10 UNL 1 -0.510 4.419 -1.431 1.00 0.00 H HETATM 45 H11 UNL 1 -1.275 5.703 0.851 1.00 0.00 H HETATM 46 H12 UNL 1 -1.037 3.086 2.018 1.00 0.00 H HETATM 47 H13 UNL 1 0.718 4.380 2.022 1.00 0.00 H HETATM 48 H14 UNL 1 0.940 1.193 2.487 1.00 0.00 H HETATM 49 H15 UNL 1 -0.805 0.461 3.530 1.00 0.00 H HETATM 50 H16 UNL 1 -0.325 -0.738 0.838 1.00 0.00 H HETATM 51 H17 UNL 1 3.532 -1.207 1.795 1.00 0.00 H HETATM 52 H18 UNL 1 5.493 -1.753 3.050 1.00 0.00 H HETATM 53 H19 UNL 1 7.995 -2.127 0.973 1.00 0.00 H HETATM 54 H20 UNL 1 6.417 -1.144 -3.415 1.00 0.00 H HETATM 55 H21 UNL 1 3.998 -0.801 -2.466 1.00 0.00 H HETATM 56 H22 UNL 1 -0.582 -2.506 -1.279 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 3 4 CONECT 4 5 5 33 CONECT 5 6 7 CONECT 6 38 CONECT 7 8 8 39 CONECT 8 9 10 CONECT 9 40 CONECT 10 11 33 33 CONECT 11 12 20 41 CONECT 12 13 CONECT 13 14 16 42 CONECT 14 15 43 44 CONECT 15 45 CONECT 16 17 18 46 CONECT 17 47 CONECT 18 19 20 48 CONECT 19 49 CONECT 20 21 50 CONECT 21 22 CONECT 22 23 23 24 CONECT 24 25 25 32 CONECT 25 26 51 CONECT 26 27 28 28 CONECT 27 52 CONECT 28 29 30 CONECT 29 53 CONECT 30 31 32 32 CONECT 31 54 CONECT 32 55 CONECT 33 34 CONECT 34 56 END