@MOLECULE DB04332 34 33 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 0.0699 10 C7 -3.9333 2.7813 0.0000 C.3 1 noname 0.0697 11 C8 5.8267 -4.1201 0.0000 C.3 1 noname 0.0666 12 O4 -4.4067 4.1201 0.0000 O.3 1 noname -0.3821 13 O5 7.2467 -4.1201 0.0000 O.3 1 noname -0.3938 14 C9 -5.8267 4.1201 0.0000 C.3 1 noname 0.0357 15 H1 -0.2908 -0.4609 -0.9440 H 1 noname 0.0590 16 H2 -0.2908 -0.4609 0.9440 H 1 noname 0.0590 17 H3 1.5557 -1.7666 0.9440 H 1 noname 0.0590 18 H4 1.5557 -1.7666 -0.9440 H 1 noname 0.0590 19 H5 -0.2192 1.9034 0.9440 H 1 noname 0.0590 20 H6 -0.2192 1.9034 -0.9440 H 1 noname 0.0590 21 H7 3.7610 -0.9110 -0.9440 H 1 noname 0.0590 22 H8 3.7610 -0.9110 0.9440 H 1 noname 0.0590 23 H9 -2.0657 3.2091 0.9440 H 1 noname 0.0590 24 H10 -2.0657 3.2091 -0.9440 H 1 noname 0.0590 25 H11 5.6075 -2.2166 -0.9440 H 1 noname 0.0590 26 H12 5.6075 -2.2166 0.9440 H 1 noname 0.0590 27 H13 -4.2710 2.3535 -0.9440 H 1 noname 0.0590 28 H14 -4.2710 2.3535 0.9440 H 1 noname 0.0590 29 H15 5.5359 -4.5810 0.9440 H 1 noname 0.0587 30 H16 5.5359 -4.5810 -0.9440 H 1 noname 0.0587 31 H17 7.5667 -4.1201 0.9051 H 1 noname 0.2101 32 H18 -6.1900 4.1201 1.0277 H 1 noname 0.0529 33 H19 -6.1900 5.0101 -0.5138 H 1 noname 0.0529 34 H20 -6.1900 3.2301 -0.5138 H 1 noname 0.0529 @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 2 15 1 15 2 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 13 31 1 31 14 32 1 32 14 33 1 33 14 34 1 @SUBSTRUCTURE 1 noname 1