COMPND HMDB0301901 HETATM 1 C1 UNL 1 -3.343 -1.910 5.839 1.00 0.00 C HETATM 2 O1 UNL 1 -2.411 -2.773 5.217 1.00 0.00 O HETATM 3 C2 UNL 1 -1.805 -2.445 4.024 1.00 0.00 C HETATM 4 C3 UNL 1 -2.024 -1.288 3.356 1.00 0.00 C HETATM 5 C4 UNL 1 -1.406 -0.948 2.141 1.00 0.00 C HETATM 6 C5 UNL 1 -1.672 0.358 1.546 1.00 0.00 C HETATM 7 O2 UNL 1 -2.528 1.157 2.206 1.00 0.00 O1+ HETATM 8 C6 UNL 1 -2.859 2.353 1.814 1.00 0.00 C HETATM 9 C7 UNL 1 -3.769 3.115 2.581 1.00 0.00 C HETATM 10 C8 UNL 1 -4.110 4.410 2.127 1.00 0.00 C HETATM 11 O3 UNL 1 -5.004 5.204 2.854 1.00 0.00 O HETATM 12 C9 UNL 1 -3.580 4.917 0.982 1.00 0.00 C HETATM 13 C10 UNL 1 -2.696 4.151 0.253 1.00 0.00 C HETATM 14 O4 UNL 1 -2.137 4.649 -0.937 1.00 0.00 O HETATM 15 C11 UNL 1 -2.341 2.885 0.669 1.00 0.00 C HETATM 16 C12 UNL 1 -1.470 2.120 -0.040 1.00 0.00 C HETATM 17 C13 UNL 1 -1.120 0.822 0.400 1.00 0.00 C HETATM 18 O5 UNL 1 -0.239 0.080 -0.320 1.00 0.00 O HETATM 19 C14 UNL 1 0.786 0.515 -1.224 1.00 0.00 C HETATM 20 O6 UNL 1 0.506 0.234 -2.515 1.00 0.00 O HETATM 21 C15 UNL 1 1.595 0.116 -3.364 1.00 0.00 C HETATM 22 C16 UNL 1 1.928 -1.339 -3.625 1.00 0.00 C HETATM 23 O7 UNL 1 3.070 -1.451 -4.415 1.00 0.00 O HETATM 24 C17 UNL 1 3.655 -2.661 -4.759 1.00 0.00 C HETATM 25 C18 UNL 1 4.871 -2.646 -5.624 1.00 0.00 C HETATM 26 O8 UNL 1 3.185 -3.737 -4.355 1.00 0.00 O HETATM 27 C19 UNL 1 2.781 0.904 -2.855 1.00 0.00 C HETATM 28 O9 UNL 1 2.489 2.239 -2.666 1.00 0.00 O HETATM 29 C20 UNL 1 3.234 0.215 -1.600 1.00 0.00 C HETATM 30 O10 UNL 1 3.801 -1.040 -1.916 1.00 0.00 O HETATM 31 C21 UNL 1 2.106 0.096 -0.648 1.00 0.00 C HETATM 32 O11 UNL 1 2.419 0.838 0.493 1.00 0.00 O HETATM 33 C22 UNL 1 -0.533 -1.889 1.643 1.00 0.00 C HETATM 34 C23 UNL 1 -0.311 -3.036 2.294 1.00 0.00 C HETATM 35 O12 UNL 1 0.587 -3.955 1.741 1.00 0.00 O HETATM 36 C24 UNL 1 -0.913 -3.407 3.520 1.00 0.00 C HETATM 37 O13 UNL 1 -0.646 -4.582 4.133 1.00 0.00 O HETATM 38 H1 UNL 1 -3.771 -2.331 6.763 1.00 0.00 H HETATM 39 H2 UNL 1 -2.870 -0.928 6.026 1.00 0.00 H HETATM 40 H3 UNL 1 -4.186 -1.775 5.089 1.00 0.00 H HETATM 41 H4 UNL 1 -2.736 -0.578 3.814 1.00 0.00 H HETATM 42 H5 UNL 1 -4.188 2.749 3.472 1.00 0.00 H HETATM 43 H6 UNL 1 -5.994 5.105 2.628 1.00 0.00 H HETATM 44 H7 UNL 1 -3.843 5.903 0.630 1.00 0.00 H HETATM 45 H8 UNL 1 -1.483 4.113 -1.405 1.00 0.00 H HETATM 46 H9 UNL 1 -1.005 2.431 -0.960 1.00 0.00 H HETATM 47 H10 UNL 1 0.793 1.639 -1.144 1.00 0.00 H HETATM 48 H11 UNL 1 1.315 0.542 -4.341 1.00 0.00 H HETATM 49 H12 UNL 1 1.049 -1.760 -4.242 1.00 0.00 H HETATM 50 H13 UNL 1 1.899 -1.945 -2.708 1.00 0.00 H HETATM 51 H14 UNL 1 5.752 -2.780 -4.921 1.00 0.00 H HETATM 52 H15 UNL 1 4.897 -1.638 -6.137 1.00 0.00 H HETATM 53 H16 UNL 1 4.842 -3.475 -6.329 1.00 0.00 H HETATM 54 H17 UNL 1 3.639 0.783 -3.575 1.00 0.00 H HETATM 55 H18 UNL 1 3.224 2.783 -2.309 1.00 0.00 H HETATM 56 H19 UNL 1 4.078 0.843 -1.163 1.00 0.00 H HETATM 57 H20 UNL 1 4.301 -1.309 -1.114 1.00 0.00 H HETATM 58 H21 UNL 1 2.014 -0.996 -0.377 1.00 0.00 H HETATM 59 H22 UNL 1 2.474 1.794 0.179 1.00 0.00 H HETATM 60 H23 UNL 1 -0.033 -1.709 0.719 1.00 0.00 H HETATM 61 H24 UNL 1 0.769 -4.798 2.222 1.00 0.00 H HETATM 62 H25 UNL 1 -1.031 -4.936 4.964 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 CONECT 3 4 4 36 CONECT 4 5 41 CONECT 5 6 33 33 CONECT 6 7 7 17 CONECT 7 8 CONECT 8 9 9 15 CONECT 9 10 42 CONECT 10 11 12 12 CONECT 11 43 CONECT 12 13 44 CONECT 13 14 15 15 CONECT 14 45 CONECT 15 16 CONECT 16 17 17 46 CONECT 17 18 CONECT 18 19 CONECT 19 20 31 47 CONECT 20 21 CONECT 21 22 27 48 CONECT 22 23 49 50 CONECT 23 24 CONECT 24 25 26 26 CONECT 25 51 52 53 CONECT 27 28 29 54 CONECT 28 55 CONECT 29 30 31 56 CONECT 30 57 CONECT 31 32 58 CONECT 32 59 CONECT 33 34 60 CONECT 34 35 36 36 CONECT 35 61 CONECT 36 37 CONECT 37 62 END