KEGG:C11889 Neoabietic acid ISISHOST03240423292D 1 1.00000 0.00000 13568 24 26 0 1 0 999 V2000 -1.5672 -1.6671 0.0000 C 0 0 1 0 0 0 0 0 0 -1.7839 -2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3602 -2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2063 -3.0473 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5865 -2.6761 0.0000 O 0 0 0 0 0 0 0 0 0 1.3268 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1167 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0.6165 1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1166 -0.0064 0.0000 C 0 0 2 0 0 0 0 0 0 -0.1237 -1.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0.6042 -1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 2.0375 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8375 -1.2601 0.0000 C 0 0 2 0 0 0 0 0 0 -0.8259 -0.4249 0.0000 C 0 0 2 0 0 0 0 0 0 -1.5441 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2738 -0.4038 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2853 -1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8375 0.4041 0.0000 C 0 0 0 0 0 0 0 0 0 1.3166 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0.6042 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 2.0333 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 2.7500 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8459 -2.0833 0.0000 H 0 0 0 0 0 0 0 0 0 -0.1250 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 1 2 1 6 0 0 1 3 1 1 0 0 2 4 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 1 1 0 0 0 1 13 1 0 0 0 14 9 1 0 0 0 9 20 1 0 0 0 8 7 1 0 0 0 6 12 2 0 0 0 14 18 1 1 0 0 6 19 1 0 0 0 9 7 1 0 0 0 19 20 2 0 0 0 13 10 1 0 0 0 12 21 1 0 0 0 6 8 1 0 0 0 12 22 1 0 0 0 10 11 1 0 0 0 20 11 1 0 0 0 13 14 1 0 0 0 13 23 1 6 0 0 14 15 1 0 0 0 9 24 1 6 0 0 M END