@MOLECULE DB02343 43 42 1 SMALL USER_CHARGES @ATOM 1 O1 0.0000 0.0000 0.0000 O.3 1 noname -0.3765 2 C1 1.4200 0.0000 0.0000 C.3 1 noname 0.0702 3 C2 -0.4733 1.3388 0.0000 C.3 1 noname 0.0702 4 C3 1.9300 -1.4425 0.0000 C.3 1 noname 0.0702 5 C4 -2.0033 1.3388 0.0000 C.3 1 noname 0.0702 6 O2 3.3500 -1.4425 0.0000 O.3 1 noname -0.3765 7 O3 -2.4767 2.6776 0.0000 O.3 1 noname -0.3765 8 C5 3.8233 -2.7813 0.0000 C.3 1 noname 0.0702 9 C6 -3.8967 2.6776 0.0000 C.3 1 noname 0.0702 10 C7 5.3533 -2.7813 0.0000 C.3 1 noname 0.0701 11 C8 -4.4067 4.1201 0.0000 C.3 1 noname 0.0701 12 O4 5.8267 -4.1201 0.0000 O.3 1 noname -0.3792 13 O5 -5.8267 4.1201 0.0000 O.3 1 noname -0.3792 14 C9 7.2467 -4.1201 0.0000 C.3 1 noname 0.0440 15 C10 -6.3000 5.4589 0.0000 C.3 1 noname 0.0440 16 C11 7.7567 -5.5626 0.0000 C.3 1 noname -0.0416 17 C12 -7.8300 5.4589 0.0000 C.3 1 noname -0.0416 18 H1 1.7108 0.4609 -0.9440 H 1 noname 0.0590 19 H2 1.7108 0.4609 0.9440 H 1 noname 0.0590 20 H3 -0.1357 1.7666 0.9440 H 1 noname 0.0590 21 H4 -0.1357 1.7666 -0.9440 H 1 noname 0.0590 22 H5 1.6392 -1.9034 0.9440 H 1 noname 0.0590 23 H6 1.6392 -1.9034 -0.9440 H 1 noname 0.0590 24 H7 -2.3410 0.9110 -0.9440 H 1 noname 0.0590 25 H8 -2.3410 0.9110 0.9440 H 1 noname 0.0590 26 H9 3.4857 -3.2091 0.9440 H 1 noname 0.0590 27 H10 3.4857 -3.2091 -0.9440 H 1 noname 0.0590 28 H11 -4.1875 2.2166 -0.9440 H 1 noname 0.0590 29 H12 -4.1875 2.2166 0.9440 H 1 noname 0.0590 30 H13 5.6910 -2.3535 -0.9440 H 1 noname 0.0590 31 H14 5.6910 -2.3535 0.9440 H 1 noname 0.0590 32 H15 -4.1159 4.5810 0.9440 H 1 noname 0.0590 33 H16 -4.1159 4.5810 -0.9440 H 1 noname 0.0590 34 H17 7.5375 -3.6591 -0.9440 H 1 noname 0.0563 35 H18 7.5375 -3.6591 0.9440 H 1 noname 0.0563 36 H19 -5.9623 5.8867 0.9440 H 1 noname 0.0563 37 H20 -5.9623 5.8867 -0.9440 H 1 noname 0.0563 38 H21 7.8778 -5.9051 1.0277 H 1 noname 0.0254 39 H22 7.0387 -6.2018 -0.5138 H 1 noname 0.0254 40 H23 8.7169 -5.6085 -0.5138 H 1 noname 0.0254 41 H24 -8.1933 5.4589 1.0277 H 1 noname 0.0254 42 H25 -8.1933 6.3488 -0.5138 H 1 noname 0.0254 43 H26 -8.1933 4.5689 -0.5138 H 1 noname 0.0254 @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 2 18 1 18 2 19 1 19 3 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 8 26 1 26 8 27 1 27 9 28 1 28 9 29 1 29 10 30 1 30 10 31 1 31 11 32 1 32 11 33 1 33 14 34 1 34 14 35 1 35 15 36 1 36 15 37 1 37 16 38 1 38 16 39 1 39 16 40 1 40 17 41 1 41 17 42 1 42 17 43 1 @SUBSTRUCTURE 1 noname 1