COMPND HMDB0000982 HETATM 1 C1 UNL 1 3.482 -1.320 1.118 1.00 0.00 C HETATM 2 C2 UNL 1 2.717 -0.241 0.434 1.00 0.00 C HETATM 3 C3 UNL 1 1.338 -0.259 0.437 1.00 0.00 C HETATM 4 N1 UNL 1 0.692 0.736 -0.193 1.00 0.00 N HETATM 5 C4 UNL 1 -0.751 0.820 -0.255 1.00 0.00 C HETATM 6 O1 UNL 1 -1.351 0.268 0.877 1.00 0.00 O HETATM 7 C5 UNL 1 -2.622 -0.005 0.430 1.00 0.00 C HETATM 8 C6 UNL 1 -3.460 -0.762 1.429 1.00 0.00 C HETATM 9 O2 UNL 1 -3.551 0.026 2.576 1.00 0.00 O HETATM 10 C7 UNL 1 -2.342 -0.827 -0.815 1.00 0.00 C HETATM 11 O3 UNL 1 -3.437 -0.917 -1.654 1.00 0.00 O HETATM 12 C8 UNL 1 -1.218 -0.012 -1.431 1.00 0.00 C HETATM 13 O4 UNL 1 -1.808 0.830 -2.379 1.00 0.00 O HETATM 14 C9 UNL 1 1.398 1.706 -0.799 1.00 0.00 C HETATM 15 O5 UNL 1 0.780 2.649 -1.396 1.00 0.00 O HETATM 16 N2 UNL 1 2.746 1.723 -0.801 1.00 0.00 N HETATM 17 C10 UNL 1 3.457 0.747 -0.182 1.00 0.00 C HETATM 18 N3 UNL 1 4.879 0.754 -0.177 1.00 0.00 N HETATM 19 H1 UNL 1 2.825 -2.181 1.319 1.00 0.00 H HETATM 20 H2 UNL 1 4.239 -1.676 0.373 1.00 0.00 H HETATM 21 H3 UNL 1 4.040 -0.967 1.992 1.00 0.00 H HETATM 22 H4 UNL 1 0.773 -1.045 0.927 1.00 0.00 H HETATM 23 H5 UNL 1 -1.107 1.868 -0.327 1.00 0.00 H HETATM 24 H6 UNL 1 -3.137 0.920 0.126 1.00 0.00 H HETATM 25 H7 UNL 1 -3.031 -1.737 1.667 1.00 0.00 H HETATM 26 H8 UNL 1 -4.474 -0.871 0.991 1.00 0.00 H HETATM 27 H9 UNL 1 -3.943 0.908 2.334 1.00 0.00 H HETATM 28 H10 UNL 1 -1.911 -1.816 -0.554 1.00 0.00 H HETATM 29 H11 UNL 1 -3.564 -1.868 -1.915 1.00 0.00 H HETATM 30 H12 UNL 1 -0.425 -0.644 -1.851 1.00 0.00 H HETATM 31 H13 UNL 1 -2.054 1.683 -1.953 1.00 0.00 H HETATM 32 H14 UNL 1 5.393 0.293 0.584 1.00 0.00 H HETATM 33 H15 UNL 1 5.426 1.219 -0.933 1.00 0.00 H CONECT 1 2 19 20 21 CONECT 2 3 3 17 CONECT 3 4 22 CONECT 4 5 14 CONECT 5 6 12 23 CONECT 6 7 CONECT 7 8 10 24 CONECT 8 9 25 26 CONECT 9 27 CONECT 10 11 12 28 CONECT 11 29 CONECT 12 13 30 CONECT 13 31 CONECT 14 15 15 16 CONECT 16 17 17 CONECT 17 18 CONECT 18 32 33 END