COMPND HMDB0304858 HETATM 1 C1 UNL 1 -1.641 -4.643 1.072 1.00 0.00 C HETATM 2 N1 UNL 1 -2.478 -3.471 1.036 1.00 0.00 N HETATM 3 C2 UNL 1 -3.733 -3.292 1.467 1.00 0.00 C HETATM 4 N2 UNL 1 -4.145 -2.030 1.239 1.00 0.00 N HETATM 5 C3 UNL 1 -3.134 -1.363 0.641 1.00 0.00 C HETATM 6 C4 UNL 1 -2.943 -0.080 0.173 1.00 0.00 C HETATM 7 F1 UNL 1 -3.987 0.780 0.313 1.00 0.00 F HETATM 8 C5 UNL 1 -1.778 0.352 -0.412 1.00 0.00 C HETATM 9 N3 UNL 1 -1.628 1.669 -0.875 1.00 0.00 N HETATM 10 C6 UNL 1 -1.138 2.736 -0.092 1.00 0.00 C HETATM 11 C7 UNL 1 -0.779 2.485 1.214 1.00 0.00 C HETATM 12 C8 UNL 1 -0.292 3.465 2.051 1.00 0.00 C HETATM 13 C9 UNL 1 -0.154 4.748 1.573 1.00 0.00 C HETATM 14 BR1 UNL 1 0.525 6.140 2.718 1.00 0.00 BR HETATM 15 C10 UNL 1 -0.504 5.024 0.278 1.00 0.00 C HETATM 16 C11 UNL 1 -0.997 4.022 -0.560 1.00 0.00 C HETATM 17 CL1 UNL 1 -1.428 4.417 -2.194 1.00 0.00 CL HETATM 18 C12 UNL 1 -0.739 -0.557 -0.535 1.00 0.00 C HETATM 19 C13 UNL 1 0.533 -0.185 -1.143 1.00 0.00 C HETATM 20 O1 UNL 1 0.663 1.120 -1.595 1.00 0.00 O HETATM 21 N4 UNL 1 1.442 -1.066 -1.224 1.00 0.00 N HETATM 22 O2 UNL 1 2.676 -0.932 -1.745 1.00 0.00 O HETATM 23 C14 UNL 1 3.883 -1.090 -1.029 1.00 0.00 C HETATM 24 C15 UNL 1 5.013 -0.847 -2.009 1.00 0.00 C HETATM 25 O3 UNL 1 6.261 -0.979 -1.403 1.00 0.00 O HETATM 26 C16 UNL 1 -0.925 -1.842 -0.068 1.00 0.00 C HETATM 27 C17 UNL 1 -2.094 -2.276 0.519 1.00 0.00 C HETATM 28 H1 UNL 1 -0.919 -4.623 1.919 1.00 0.00 H HETATM 29 H2 UNL 1 -1.045 -4.754 0.148 1.00 0.00 H HETATM 30 H3 UNL 1 -2.323 -5.521 1.176 1.00 0.00 H HETATM 31 H4 UNL 1 -4.308 -4.086 1.935 1.00 0.00 H HETATM 32 H5 UNL 1 -1.893 1.903 -1.873 1.00 0.00 H HETATM 33 H6 UNL 1 -0.871 1.483 1.638 1.00 0.00 H HETATM 34 H7 UNL 1 -0.008 3.279 3.074 1.00 0.00 H HETATM 35 H8 UNL 1 -0.399 6.032 -0.109 1.00 0.00 H HETATM 36 H9 UNL 1 1.602 1.516 -1.576 1.00 0.00 H HETATM 37 H10 UNL 1 3.969 -2.090 -0.548 1.00 0.00 H HETATM 38 H11 UNL 1 3.997 -0.348 -0.217 1.00 0.00 H HETATM 39 H12 UNL 1 4.866 0.180 -2.415 1.00 0.00 H HETATM 40 H13 UNL 1 4.871 -1.556 -2.846 1.00 0.00 H HETATM 41 H14 UNL 1 6.088 -1.178 -0.441 1.00 0.00 H HETATM 42 H15 UNL 1 -0.106 -2.545 -0.169 1.00 0.00 H CONECT 1 2 28 29 30 CONECT 2 3 27 CONECT 3 4 4 31 CONECT 4 5 CONECT 5 6 6 27 CONECT 6 7 8 CONECT 8 9 18 18 CONECT 9 10 32 CONECT 10 11 11 16 CONECT 11 12 33 CONECT 12 13 13 34 CONECT 13 14 15 CONECT 15 16 16 35 CONECT 16 17 CONECT 18 19 26 CONECT 19 20 21 21 CONECT 20 36 CONECT 21 22 CONECT 22 23 CONECT 23 24 37 38 CONECT 24 25 39 40 CONECT 25 41 CONECT 26 27 27 42 END