COMPND HMDB0034854 HETATM 1 C1 UNL 1 3.434 2.342 2.596 1.00 0.00 C HETATM 2 C2 UNL 1 3.484 1.163 2.360 1.00 0.00 C HETATM 3 C3 UNL 1 3.535 -0.282 2.050 1.00 0.00 C HETATM 4 N1 UNL 1 3.846 -0.434 0.657 1.00 0.00 N HETATM 5 C4 UNL 1 5.215 -0.535 0.229 1.00 0.00 C HETATM 6 O1 UNL 1 6.097 -0.762 1.108 1.00 0.00 O HETATM 7 C5 UNL 1 5.635 -0.389 -1.169 1.00 0.00 C HETATM 8 O2 UNL 1 4.543 -0.717 -2.005 1.00 0.00 O HETATM 9 C6 UNL 1 3.214 -0.625 -1.640 1.00 0.00 C HETATM 10 C7 UNL 1 2.220 -0.672 -2.587 1.00 0.00 C HETATM 11 C8 UNL 1 0.903 -0.585 -2.273 1.00 0.00 C HETATM 12 F1 UNL 1 -0.020 -0.636 -3.254 1.00 0.00 F HETATM 13 C9 UNL 1 0.489 -0.445 -0.971 1.00 0.00 C HETATM 14 N2 UNL 1 -0.906 -0.370 -0.632 1.00 0.00 N HETATM 15 C10 UNL 1 -1.614 -1.003 0.418 1.00 0.00 C HETATM 16 O3 UNL 1 -1.112 -1.771 1.287 1.00 0.00 O HETATM 17 C11 UNL 1 -3.037 -0.629 0.347 1.00 0.00 C HETATM 18 C12 UNL 1 -3.196 0.174 -0.671 1.00 0.00 C HETATM 19 C13 UNL 1 -4.536 0.704 -0.994 1.00 0.00 C HETATM 20 C14 UNL 1 -5.255 1.087 0.247 1.00 0.00 C HETATM 21 C15 UNL 1 -5.266 0.019 1.284 1.00 0.00 C HETATM 22 C16 UNL 1 -4.196 -1.000 1.178 1.00 0.00 C HETATM 23 C17 UNL 1 -1.875 0.379 -1.335 1.00 0.00 C HETATM 24 O4 UNL 1 -1.750 1.119 -2.351 1.00 0.00 O HETATM 25 C18 UNL 1 1.473 -0.394 0.006 1.00 0.00 C HETATM 26 C19 UNL 1 2.820 -0.482 -0.322 1.00 0.00 C HETATM 27 H1 UNL 1 3.389 3.401 2.787 1.00 0.00 H HETATM 28 H2 UNL 1 2.606 -0.734 2.390 1.00 0.00 H HETATM 29 H3 UNL 1 4.422 -0.653 2.652 1.00 0.00 H HETATM 30 H4 UNL 1 5.859 0.697 -1.341 1.00 0.00 H HETATM 31 H5 UNL 1 6.494 -1.039 -1.432 1.00 0.00 H HETATM 32 H6 UNL 1 2.558 -0.784 -3.620 1.00 0.00 H HETATM 33 H7 UNL 1 -5.115 -0.105 -1.508 1.00 0.00 H HETATM 34 H8 UNL 1 -4.473 1.570 -1.689 1.00 0.00 H HETATM 35 H9 UNL 1 -4.814 2.042 0.659 1.00 0.00 H HETATM 36 H10 UNL 1 -6.315 1.389 -0.043 1.00 0.00 H HETATM 37 H11 UNL 1 -6.249 -0.519 1.177 1.00 0.00 H HETATM 38 H12 UNL 1 -5.325 0.513 2.281 1.00 0.00 H HETATM 39 H13 UNL 1 -3.785 -1.154 2.217 1.00 0.00 H HETATM 40 H14 UNL 1 -4.594 -2.005 0.879 1.00 0.00 H HETATM 41 H15 UNL 1 1.195 -0.282 1.030 1.00 0.00 H CONECT 1 2 2 2 27 CONECT 2 3 CONECT 3 4 28 29 CONECT 4 5 26 CONECT 5 6 6 7 CONECT 7 8 30 31 CONECT 8 9 CONECT 9 10 10 26 CONECT 10 11 32 CONECT 11 12 13 13 CONECT 13 14 25 CONECT 14 15 23 CONECT 15 16 16 17 CONECT 17 18 18 22 CONECT 18 19 23 CONECT 19 20 33 34 CONECT 20 21 35 36 CONECT 21 22 37 38 CONECT 22 39 40 CONECT 23 24 24 CONECT 25 26 26 41 END