COMPND HMDB0251262 HETATM 1 O1 UNL 1 -2.637 -0.452 -2.188 1.00 0.00 O HETATM 2 C1 UNL 1 -1.607 -0.652 -1.460 1.00 0.00 C HETATM 3 N1 UNL 1 -1.756 -0.339 -0.116 1.00 0.00 N HETATM 4 C2 UNL 1 -2.898 0.161 0.555 1.00 0.00 C HETATM 5 C3 UNL 1 -4.171 0.118 0.063 1.00 0.00 C HETATM 6 C4 UNL 1 -5.290 0.586 0.778 1.00 0.00 C HETATM 7 C5 UNL 1 -5.105 1.112 2.030 1.00 0.00 C HETATM 8 F1 UNL 1 -6.134 1.566 2.750 1.00 0.00 F HETATM 9 C6 UNL 1 -3.831 1.172 2.562 1.00 0.00 C HETATM 10 C7 UNL 1 -2.757 0.708 1.841 1.00 0.00 C HETATM 11 F2 UNL 1 -1.525 0.779 2.374 1.00 0.00 F HETATM 12 C8 UNL 1 -0.424 -1.177 -2.124 1.00 0.00 C HETATM 13 C9 UNL 1 -0.524 -1.457 -3.507 1.00 0.00 C HETATM 14 C10 UNL 1 0.547 -1.989 -4.169 1.00 0.00 C HETATM 15 C11 UNL 1 1.702 -2.248 -3.498 1.00 0.00 C HETATM 16 N2 UNL 1 1.786 -1.980 -2.204 1.00 0.00 N HETATM 17 C12 UNL 1 0.743 -1.438 -1.465 1.00 0.00 C HETATM 18 O2 UNL 1 1.007 -1.214 -0.152 1.00 0.00 O HETATM 19 C13 UNL 1 1.772 -0.155 0.359 1.00 0.00 C HETATM 20 C14 UNL 1 1.371 1.145 0.322 1.00 0.00 C HETATM 21 C15 UNL 1 2.141 2.191 0.833 1.00 0.00 C HETATM 22 C16 UNL 1 3.364 1.876 1.403 1.00 0.00 C HETATM 23 C17 UNL 1 3.798 0.552 1.457 1.00 0.00 C HETATM 24 C18 UNL 1 5.105 0.239 2.094 1.00 0.00 C HETATM 25 F3 UNL 1 5.201 0.733 3.396 1.00 0.00 F HETATM 26 F4 UNL 1 5.242 -1.142 2.149 1.00 0.00 F HETATM 27 F5 UNL 1 6.080 0.822 1.306 1.00 0.00 F HETATM 28 C19 UNL 1 3.014 -0.451 0.941 1.00 0.00 C HETATM 29 H1 UNL 1 -0.929 -0.504 0.529 1.00 0.00 H HETATM 30 H2 UNL 1 -4.375 -0.299 -0.918 1.00 0.00 H HETATM 31 H3 UNL 1 -6.295 0.532 0.364 1.00 0.00 H HETATM 32 H4 UNL 1 -3.708 1.600 3.560 1.00 0.00 H HETATM 33 H5 UNL 1 -1.467 -1.239 -4.004 1.00 0.00 H HETATM 34 H6 UNL 1 0.487 -2.215 -5.233 1.00 0.00 H HETATM 35 H7 UNL 1 2.542 -2.672 -4.062 1.00 0.00 H HETATM 36 H8 UNL 1 0.406 1.386 -0.131 1.00 0.00 H HETATM 37 H9 UNL 1 1.794 3.202 0.782 1.00 0.00 H HETATM 38 H10 UNL 1 4.011 2.624 1.816 1.00 0.00 H HETATM 39 H11 UNL 1 3.321 -1.480 0.970 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 12 CONECT 3 4 29 CONECT 4 5 5 10 CONECT 5 6 30 CONECT 6 7 7 31 CONECT 7 8 9 CONECT 9 10 10 32 CONECT 10 11 CONECT 12 13 13 17 CONECT 13 14 33 CONECT 14 15 15 34 CONECT 15 16 35 CONECT 16 17 17 CONECT 17 18 CONECT 18 19 CONECT 19 20 20 28 CONECT 20 21 36 CONECT 21 22 22 37 CONECT 22 23 38 CONECT 23 24 28 28 CONECT 24 25 26 27 CONECT 28 39 END