@MOLECULE DB02664 18 17 1 SMALL USER_CHARGES @ATOM 1 O1 3.6067 -1.5462 0.0000 O.3 1 noname -0.2912 2 B1 2.0767 -1.5462 0.0000 B 1 noname 0.1773 3 O2 1.5667 -2.2675 -1.2492 O.3 1 noname -0.2912 4 C1 1.5300 0.0000 0.0000 C.3 1 noname -0.0177 5 C2 0.0000 0.0000 0.0000 C.3 1 noname -0.0552 6 C3 -0.5100 1.4425 0.0000 C.3 1 noname -0.0566 7 C4 -2.0400 1.4425 0.0000 C.3 1 noname -0.0654 8 H1 3.9267 -1.5462 0.9051 H 1 noname 0.1897 9 H2 1.6213 -3.2165 -1.1155 H 1 noname 0.1897 10 H3 1.8225 0.4599 0.9440 H 1 noname 0.0233 11 H4 1.8225 0.4599 -0.9440 H 1 noname 0.0233 12 H5 -0.3147 -0.4450 -0.9440 H 1 noname 0.0261 13 H6 -0.3147 -0.4450 0.9440 H 1 noname 0.0261 14 H7 -0.1953 1.8875 0.9440 H 1 noname 0.0263 15 H8 -0.1953 1.8875 -0.9440 H 1 noname 0.0263 16 H9 -2.4033 1.4425 1.0277 H 1 noname 0.0230 17 H10 -2.4033 2.3325 -0.5138 H 1 noname 0.0230 18 H11 -2.4033 0.5525 -0.5138 H 1 noname 0.0230 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 8 1 8 3 9 1 9 4 10 1 10 4 11 1 11 5 12 1 12 5 13 1 13 6 14 1 14 6 15 1 15 7 16 1 16 7 17 1 17 7 18 1 @SUBSTRUCTURE 1 noname 1