COMPND HMDB0030596 HETATM 1 C1 UNL 1 -2.518 1.753 -1.194 1.00 0.00 C HETATM 2 C2 UNL 1 -3.115 1.356 0.100 1.00 0.00 C HETATM 3 C3 UNL 1 -3.876 2.363 0.886 1.00 0.00 C HETATM 4 C4 UNL 1 -2.978 0.129 0.557 1.00 0.00 C HETATM 5 C5 UNL 1 -2.214 -0.870 -0.234 1.00 0.00 C HETATM 6 C6 UNL 1 -1.070 -1.416 0.542 1.00 0.00 C HETATM 7 C7 UNL 1 -1.337 -2.346 1.537 1.00 0.00 C HETATM 8 O1 UNL 1 -2.628 -2.748 1.798 1.00 0.00 O HETATM 9 C8 UNL 1 -0.308 -2.882 2.279 1.00 0.00 C HETATM 10 C9 UNL 1 0.993 -2.495 2.036 1.00 0.00 C HETATM 11 O2 UNL 1 2.047 -3.041 2.794 1.00 0.00 O HETATM 12 C10 UNL 1 1.238 -1.570 1.044 1.00 0.00 C HETATM 13 C11 UNL 1 2.529 -1.155 0.769 1.00 0.00 C HETATM 14 O3 UNL 1 3.456 -1.637 1.437 1.00 0.00 O HETATM 15 C12 UNL 1 2.811 -0.231 -0.217 1.00 0.00 C HETATM 16 C13 UNL 1 4.083 0.207 -0.521 1.00 0.00 C HETATM 17 C14 UNL 1 4.319 1.139 -1.522 1.00 0.00 C HETATM 18 C15 UNL 1 3.233 1.635 -2.228 1.00 0.00 C HETATM 19 O4 UNL 1 3.383 2.570 -3.245 1.00 0.00 O HETATM 20 C16 UNL 1 1.956 1.197 -1.926 1.00 0.00 C HETATM 21 O5 UNL 1 0.865 1.690 -2.629 1.00 0.00 O HETATM 22 C17 UNL 1 1.722 0.257 -0.916 1.00 0.00 C HETATM 23 O6 UNL 1 0.497 -0.129 -0.663 1.00 0.00 O HETATM 24 C18 UNL 1 0.224 -1.021 0.289 1.00 0.00 C HETATM 25 H1 UNL 1 -1.405 1.802 -1.015 1.00 0.00 H HETATM 26 H2 UNL 1 -2.763 1.110 -2.037 1.00 0.00 H HETATM 27 H3 UNL 1 -2.793 2.826 -1.439 1.00 0.00 H HETATM 28 H4 UNL 1 -3.576 3.403 0.635 1.00 0.00 H HETATM 29 H5 UNL 1 -3.682 2.253 1.984 1.00 0.00 H HETATM 30 H6 UNL 1 -4.967 2.300 0.722 1.00 0.00 H HETATM 31 H7 UNL 1 -3.434 -0.141 1.522 1.00 0.00 H HETATM 32 H8 UNL 1 -1.864 -0.460 -1.185 1.00 0.00 H HETATM 33 H9 UNL 1 -2.931 -1.690 -0.463 1.00 0.00 H HETATM 34 H10 UNL 1 -2.804 -3.423 2.521 1.00 0.00 H HETATM 35 H11 UNL 1 -0.470 -3.604 3.057 1.00 0.00 H HETATM 36 H12 UNL 1 1.858 -3.719 3.519 1.00 0.00 H HETATM 37 H13 UNL 1 4.906 -0.196 0.044 1.00 0.00 H HETATM 38 H14 UNL 1 5.312 1.492 -1.770 1.00 0.00 H HETATM 39 H15 UNL 1 4.290 2.920 -3.502 1.00 0.00 H HETATM 40 H16 UNL 1 1.012 2.371 -3.365 1.00 0.00 H CONECT 1 2 25 26 27 CONECT 2 3 4 4 CONECT 3 28 29 30 CONECT 4 5 31 CONECT 5 6 32 33 CONECT 6 7 7 24 CONECT 7 8 9 CONECT 8 34 CONECT 9 10 10 35 CONECT 10 11 12 CONECT 11 36 CONECT 12 13 24 24 CONECT 13 14 14 15 CONECT 15 16 16 22 CONECT 16 17 37 CONECT 17 18 18 38 CONECT 18 19 20 CONECT 19 39 CONECT 20 21 22 22 CONECT 21 40 CONECT 22 23 CONECT 23 24 END