COMPND HMDB0304749 HETATM 1 C1 UNL 1 4.285 1.332 0.769 1.00 0.00 C HETATM 2 C2 UNL 1 3.571 -0.034 0.749 1.00 0.00 C HETATM 3 C3 UNL 1 2.580 0.012 1.836 1.00 0.00 C HETATM 4 C4 UNL 1 3.107 -0.248 -0.647 1.00 0.00 C HETATM 5 N1 UNL 1 2.208 0.753 -1.089 1.00 0.00 N HETATM 6 C5 UNL 1 0.955 0.830 -0.982 1.00 0.00 C HETATM 7 C6 UNL 1 0.249 -0.226 -0.319 1.00 0.00 C HETATM 8 C7 UNL 1 -1.088 -0.092 -0.233 1.00 0.00 C HETATM 9 C8 UNL 1 -1.873 -1.139 0.434 1.00 0.00 C HETATM 10 C9 UNL 1 -3.194 -1.173 0.386 1.00 0.00 C HETATM 11 C10 UNL 1 -3.985 -2.194 1.035 1.00 0.00 C HETATM 12 O1 UNL 1 -5.234 -2.187 0.963 1.00 0.00 O HETATM 13 O2 UNL 1 -3.357 -3.199 1.747 1.00 0.00 O HETATM 14 N2 UNL 1 -3.813 -0.118 -0.355 1.00 0.00 N HETATM 15 C11 UNL 1 -3.196 1.185 -0.358 1.00 0.00 C HETATM 16 C12 UNL 1 -3.936 2.101 -1.277 1.00 0.00 C HETATM 17 O3 UNL 1 -4.931 1.658 -1.890 1.00 0.00 O HETATM 18 O4 UNL 1 -3.560 3.412 -1.472 1.00 0.00 O HETATM 19 C13 UNL 1 -1.769 1.095 -0.800 1.00 0.00 C HETATM 20 C14 UNL 1 2.900 -1.610 -1.097 1.00 0.00 C HETATM 21 O5 UNL 1 2.074 -1.877 -1.977 1.00 0.00 O HETATM 22 O6 UNL 1 3.621 -2.640 -0.553 1.00 0.00 O HETATM 23 H1 UNL 1 4.803 1.418 -0.197 1.00 0.00 H HETATM 24 H2 UNL 1 3.533 2.155 0.896 1.00 0.00 H HETATM 25 H3 UNL 1 5.051 1.356 1.572 1.00 0.00 H HETATM 26 H4 UNL 1 4.375 -0.760 1.039 1.00 0.00 H HETATM 27 H5 UNL 1 2.036 -0.921 2.047 1.00 0.00 H HETATM 28 H6 UNL 1 1.889 0.898 1.783 1.00 0.00 H HETATM 29 H7 UNL 1 3.168 0.211 2.784 1.00 0.00 H HETATM 30 H8 UNL 1 4.072 0.042 -1.256 1.00 0.00 H HETATM 31 H9 UNL 1 0.477 1.705 -1.407 1.00 0.00 H HETATM 32 H10 UNL 1 0.634 -1.103 0.117 1.00 0.00 H HETATM 33 H11 UNL 1 -1.389 -1.924 0.991 1.00 0.00 H HETATM 34 H12 UNL 1 -3.530 -4.182 1.520 1.00 0.00 H HETATM 35 H13 UNL 1 -4.706 -0.304 -0.884 1.00 0.00 H HETATM 36 H14 UNL 1 -3.287 1.647 0.665 1.00 0.00 H HETATM 37 H15 UNL 1 -4.092 4.174 -1.070 1.00 0.00 H HETATM 38 H16 UNL 1 -1.761 0.986 -1.913 1.00 0.00 H HETATM 39 H17 UNL 1 -1.278 2.045 -0.483 1.00 0.00 H HETATM 40 H18 UNL 1 4.392 -3.084 -1.074 1.00 0.00 H CONECT 1 2 23 24 25 CONECT 2 3 4 26 CONECT 3 27 28 29 CONECT 4 5 20 30 CONECT 5 6 6 CONECT 6 7 31 CONECT 7 8 8 32 CONECT 8 9 19 CONECT 9 10 10 33 CONECT 10 11 14 CONECT 11 12 12 13 CONECT 13 34 CONECT 14 15 35 CONECT 15 16 19 36 CONECT 16 17 17 18 CONECT 18 37 CONECT 19 38 39 CONECT 20 21 21 22 CONECT 22 40 END