@MOLECULE DB02202 16 15 1 SMALL USER_CHARGES @ATOM 1 O1 2.0033 -1.3388 0.0000 O.3 1 noname -0.3932 2 C1 1.5300 0.0000 0.0000 C.3 1 noname 0.0535 3 C2 0.0000 0.0000 0.0000 C.3 1 noname -0.0039 4 C3 2.0400 0.7212 -1.2492 C.3 1 noname -0.0389 5 C4 -0.5100 1.4425 0.0000 C.3 1 noname 0.0456 6 O2 -1.9300 1.4425 0.0000 O.3 1 noname -0.3961 7 H1 2.1100 -1.6405 0.9051 H 1 noname 0.2104 8 H2 1.9281 0.4497 0.9096 H 1 noname 0.0597 9 H3 -0.3147 -0.4450 -0.9440 H 1 noname 0.0316 10 H4 -0.3147 -0.4450 0.9440 H 1 noname 0.0316 11 H5 2.3442 -0.0138 -1.9944 H 1 noname 0.0256 12 H6 1.2456 1.3457 -1.6580 H 1 noname 0.0256 13 H7 2.8935 1.3457 -0.9853 H 1 noname 0.0256 14 H8 -0.2192 1.9034 0.9440 H 1 noname 0.0564 15 H9 -0.2192 1.9034 -0.9440 H 1 noname 0.0564 16 H10 -2.2500 1.4425 0.9051 H 1 noname 0.2100 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 5 6 1 6 1 7 1 7 2 8 1 8 3 9 1 9 3 10 1 10 4 11 1 11 4 12 1 12 4 13 1 13 5 14 1 14 5 15 1 15 6 16 1 @SUBSTRUCTURE 1 noname 1