COMPND HMDB0015390 HETATM 1 N1 UNL 1 -2.370 -1.606 -1.650 1.00 0.00 N HETATM 2 C1 UNL 1 -1.934 -1.748 -0.300 1.00 0.00 C HETATM 3 C2 UNL 1 -0.764 -0.928 0.111 1.00 0.00 C HETATM 4 C3 UNL 1 0.456 -1.241 -0.680 1.00 0.00 C HETATM 5 O1 UNL 1 0.384 -2.044 -1.619 1.00 0.00 O HETATM 6 N2 UNL 1 1.669 -0.615 -0.339 1.00 0.00 N HETATM 7 C4 UNL 1 2.879 -0.883 -1.074 1.00 0.00 C HETATM 8 C5 UNL 1 4.102 -0.586 -0.205 1.00 0.00 C HETATM 9 N3 UNL 1 4.013 0.771 0.300 1.00 0.00 N HETATM 10 C6 UNL 1 2.831 1.172 0.748 1.00 0.00 C HETATM 11 N4 UNL 1 3.001 2.450 1.143 1.00 0.00 N HETATM 12 N5 UNL 1 4.260 2.813 0.937 1.00 0.00 N HETATM 13 C7 UNL 1 4.894 1.753 0.406 1.00 0.00 C HETATM 14 C8 UNL 1 6.326 1.790 0.045 1.00 0.00 C HETATM 15 F1 UNL 1 6.485 2.815 -0.867 1.00 0.00 F HETATM 16 F2 UNL 1 6.810 0.623 -0.450 1.00 0.00 F HETATM 17 F3 UNL 1 7.047 2.135 1.181 1.00 0.00 F HETATM 18 C9 UNL 1 1.669 0.291 0.773 1.00 0.00 C HETATM 19 C10 UNL 1 -3.019 -1.735 0.713 1.00 0.00 C HETATM 20 C11 UNL 1 -3.805 -0.478 0.651 1.00 0.00 C HETATM 21 C12 UNL 1 -4.997 -0.474 -0.106 1.00 0.00 C HETATM 22 C13 UNL 1 -5.762 0.651 -0.231 1.00 0.00 C HETATM 23 F4 UNL 1 -6.916 0.613 -0.981 1.00 0.00 F HETATM 24 C14 UNL 1 -5.415 1.842 0.371 1.00 0.00 C HETATM 25 F5 UNL 1 -6.194 2.954 0.232 1.00 0.00 F HETATM 26 C15 UNL 1 -4.257 1.845 1.109 1.00 0.00 C HETATM 27 C16 UNL 1 -3.456 0.705 1.254 1.00 0.00 C HETATM 28 F6 UNL 1 -2.341 0.767 2.032 1.00 0.00 F HETATM 29 H1 UNL 1 -2.278 -0.639 -2.024 1.00 0.00 H HETATM 30 H2 UNL 1 -2.006 -2.334 -2.261 1.00 0.00 H HETATM 31 H3 UNL 1 -1.541 -2.857 -0.273 1.00 0.00 H HETATM 32 H4 UNL 1 -0.592 -1.034 1.189 1.00 0.00 H HETATM 33 H5 UNL 1 -0.956 0.168 -0.080 1.00 0.00 H HETATM 34 H6 UNL 1 2.859 -1.971 -1.347 1.00 0.00 H HETATM 35 H7 UNL 1 2.965 -0.308 -2.017 1.00 0.00 H HETATM 36 H8 UNL 1 5.008 -0.790 -0.764 1.00 0.00 H HETATM 37 H9 UNL 1 4.049 -1.288 0.654 1.00 0.00 H HETATM 38 H10 UNL 1 1.753 -0.349 1.713 1.00 0.00 H HETATM 39 H11 UNL 1 0.705 0.865 0.840 1.00 0.00 H HETATM 40 H12 UNL 1 -3.704 -2.619 0.608 1.00 0.00 H HETATM 41 H13 UNL 1 -2.626 -1.836 1.761 1.00 0.00 H HETATM 42 H14 UNL 1 -5.257 -1.424 -0.579 1.00 0.00 H HETATM 43 H15 UNL 1 -3.974 2.764 1.584 1.00 0.00 H CONECT 1 2 29 30 CONECT 2 3 19 31 CONECT 3 4 32 33 CONECT 4 5 5 6 CONECT 6 7 18 CONECT 7 8 34 35 CONECT 8 9 36 37 CONECT 9 10 13 CONECT 10 11 11 18 CONECT 11 12 CONECT 12 13 13 CONECT 13 14 CONECT 14 15 16 17 CONECT 18 38 39 CONECT 19 20 40 41 CONECT 20 21 21 27 CONECT 21 22 42 CONECT 22 23 24 24 CONECT 24 25 26 CONECT 26 27 27 43 CONECT 27 28 END