COMPND HMDB0038334 HETATM 1 O1 UNL 1 4.188 0.802 1.470 1.00 0.00 O HETATM 2 C1 UNL 1 3.103 1.261 1.852 1.00 0.00 C HETATM 3 O2 UNL 1 3.040 2.585 2.253 1.00 0.00 O HETATM 4 C2 UNL 1 1.893 0.452 1.894 1.00 0.00 C HETATM 5 C3 UNL 1 1.997 -0.962 1.456 1.00 0.00 C HETATM 6 C4 UNL 1 2.421 -1.192 0.066 1.00 0.00 C HETATM 7 C5 UNL 1 3.737 -1.574 -0.138 1.00 0.00 C HETATM 8 C6 UNL 1 4.198 -1.781 -1.411 1.00 0.00 C HETATM 9 C7 UNL 1 3.369 -1.616 -2.513 1.00 0.00 C HETATM 10 C8 UNL 1 2.081 -1.243 -2.310 1.00 0.00 C HETATM 11 C9 UNL 1 1.546 -1.016 -1.017 1.00 0.00 C HETATM 12 O3 UNL 1 0.299 -0.666 -0.925 1.00 0.00 O HETATM 13 C10 UNL 1 -0.848 -0.331 -0.348 1.00 0.00 C HETATM 14 O4 UNL 1 -1.210 1.011 -0.545 1.00 0.00 O HETATM 15 C11 UNL 1 -2.538 1.258 -0.683 1.00 0.00 C HETATM 16 C12 UNL 1 -2.761 2.746 -0.378 1.00 0.00 C HETATM 17 O5 UNL 1 -2.039 3.550 -1.257 1.00 0.00 O HETATM 18 C13 UNL 1 -3.372 0.520 0.367 1.00 0.00 C HETATM 19 O6 UNL 1 -2.839 0.862 1.607 1.00 0.00 O HETATM 20 C14 UNL 1 -3.221 -0.977 0.149 1.00 0.00 C HETATM 21 O7 UNL 1 -3.223 -1.641 1.359 1.00 0.00 O HETATM 22 C15 UNL 1 -2.004 -1.270 -0.700 1.00 0.00 C HETATM 23 O8 UNL 1 -2.377 -1.181 -2.031 1.00 0.00 O HETATM 24 H1 UNL 1 2.993 3.361 1.580 1.00 0.00 H HETATM 25 H2 UNL 1 1.502 0.420 2.964 1.00 0.00 H HETATM 26 H3 UNL 1 1.044 0.937 1.340 1.00 0.00 H HETATM 27 H4 UNL 1 2.762 -1.442 2.148 1.00 0.00 H HETATM 28 H5 UNL 1 1.046 -1.493 1.715 1.00 0.00 H HETATM 29 H6 UNL 1 4.403 -1.728 0.692 1.00 0.00 H HETATM 30 H7 UNL 1 5.221 -2.075 -1.534 1.00 0.00 H HETATM 31 H8 UNL 1 3.801 -1.796 -3.497 1.00 0.00 H HETATM 32 H9 UNL 1 1.421 -1.112 -3.184 1.00 0.00 H HETATM 33 H10 UNL 1 -0.782 -0.403 0.786 1.00 0.00 H HETATM 34 H11 UNL 1 -2.970 1.042 -1.681 1.00 0.00 H HETATM 35 H12 UNL 1 -2.482 2.968 0.657 1.00 0.00 H HETATM 36 H13 UNL 1 -3.852 2.948 -0.485 1.00 0.00 H HETATM 37 H14 UNL 1 -1.100 3.561 -0.922 1.00 0.00 H HETATM 38 H15 UNL 1 -4.400 0.872 0.309 1.00 0.00 H HETATM 39 H16 UNL 1 -3.527 1.025 2.296 1.00 0.00 H HETATM 40 H17 UNL 1 -4.110 -1.307 -0.427 1.00 0.00 H HETATM 41 H18 UNL 1 -2.769 -1.159 2.083 1.00 0.00 H HETATM 42 H19 UNL 1 -1.678 -2.304 -0.486 1.00 0.00 H HETATM 43 H20 UNL 1 -1.965 -1.911 -2.570 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 24 CONECT 4 5 25 26 CONECT 5 6 27 28 CONECT 6 7 7 11 CONECT 7 8 29 CONECT 8 9 9 30 CONECT 9 10 31 CONECT 10 11 11 32 CONECT 11 12 CONECT 12 13 CONECT 13 14 22 33 CONECT 14 15 CONECT 15 16 18 34 CONECT 16 17 35 36 CONECT 17 37 CONECT 18 19 20 38 CONECT 19 39 CONECT 20 21 22 40 CONECT 21 41 CONECT 22 23 42 CONECT 23 43 END