@MOLECULE DB07344 44 43 1 SMALL USER_CHARGES @ATOM 1 O1 1.4200 0.0000 0.0000 O.3 1 noname -0.3765 2 C1 0.0000 0.0000 0.0000 C.3 1 noname 0.0702 3 C2 1.8933 -1.3388 0.0000 C.3 1 noname 0.0702 4 C3 -0.5100 1.4425 0.0000 C.3 1 noname 0.0702 5 C4 3.4233 -1.3388 0.0000 C.3 1 noname 0.0702 6 O2 -1.9300 1.4425 0.0000 O.3 1 noname -0.3765 7 O3 3.8967 -2.6776 0.0000 O.3 1 noname -0.3765 8 C5 -2.4033 2.7813 0.0000 C.3 1 noname 0.0702 9 C6 5.3167 -2.6776 0.0000 C.3 1 noname 0.0702 10 C7 -3.9333 2.7813 0.0000 C.3 1 noname 0.0702 11 C8 5.8267 -4.1201 0.0000 C.3 1 noname 0.0701 12 O4 -4.4067 4.1201 0.0000 O.3 1 noname -0.3765 13 O5 7.2467 -4.1201 0.0000 O.3 1 noname -0.3792 14 C9 -5.8267 4.1201 0.0000 C.3 1 noname 0.0699 15 C10 7.7200 -5.4589 0.0000 C.3 1 noname 0.0440 16 C11 -6.3367 5.5626 0.0000 C.3 1 noname 0.0666 17 C12 9.2500 -5.4589 0.0000 C.3 1 noname -0.0416 18 O6 -7.7567 5.5626 0.0000 O.3 1 noname -0.3938 19 H1 -0.2908 -0.4609 -0.9440 H 1 noname 0.0590 20 H2 -0.2908 -0.4609 0.9440 H 1 noname 0.0590 21 H3 1.5557 -1.7666 0.9440 H 1 noname 0.0590 22 H4 1.5557 -1.7666 -0.9440 H 1 noname 0.0590 23 H5 -0.2192 1.9034 0.9440 H 1 noname 0.0590 24 H6 -0.2192 1.9034 -0.9440 H 1 noname 0.0590 25 H7 3.7610 -0.9110 -0.9440 H 1 noname 0.0590 26 H8 3.7610 -0.9110 0.9440 H 1 noname 0.0590 27 H9 -2.0657 3.2091 0.9440 H 1 noname 0.0590 28 H10 -2.0657 3.2091 -0.9440 H 1 noname 0.0590 29 H11 5.6075 -2.2166 -0.9440 H 1 noname 0.0590 30 H12 5.6075 -2.2166 0.9440 H 1 noname 0.0590 31 H13 -4.2710 2.3535 -0.9440 H 1 noname 0.0590 32 H14 -4.2710 2.3535 0.9440 H 1 noname 0.0590 33 H15 5.5359 -4.5810 0.9440 H 1 noname 0.0590 34 H16 5.5359 -4.5810 -0.9440 H 1 noname 0.0590 35 H17 -6.1175 3.6591 -0.9440 H 1 noname 0.0590 36 H18 -6.1175 3.6591 0.9440 H 1 noname 0.0590 37 H19 7.3823 -5.8867 0.9440 H 1 noname 0.0563 38 H20 7.3823 -5.8867 -0.9440 H 1 noname 0.0563 39 H21 -6.0459 6.0235 0.9440 H 1 noname 0.0587 40 H22 -6.0459 6.0235 -0.9440 H 1 noname 0.0587 41 H23 9.6133 -5.4589 1.0277 H 1 noname 0.0254 42 H24 9.6133 -6.3488 -0.5138 H 1 noname 0.0254 43 H25 9.6133 -4.5689 -0.5138 H 1 noname 0.0254 44 H26 -8.0767 5.5626 0.9051 H 1 noname 0.2101 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 10 12 1 12 11 13 1 13 12 14 1 14 13 15 1 15 14 16 1 16 15 17 1 17 16 18 1 18 2 19 1 19 2 20 1 20 3 21 1 21 3 22 1 22 4 23 1 23 4 24 1 24 5 25 1 25 5 26 1 26 8 27 1 27 8 28 1 28 9 29 1 29 9 30 1 30 10 31 1 31 10 32 1 32 11 33 1 33 11 34 1 34 14 35 1 35 14 36 1 36 15 37 1 37 15 38 1 38 16 39 1 39 16 40 1 40 17 41 1 41 17 42 1 42 17 43 1 43 18 44 1 @SUBSTRUCTURE 1 noname 1