KEGG:C12450 Pseudoecgonyl-CoA ISISHOST09220423412D 1 1.00000 0.00000 15157 60 64 0 1 0 999 V2000 -2.2212 -11.8400 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0433 -11.2585 0.0000 C 0 0 3 0 0 0 0 0 0 -3.0881 -11.8400 0.0000 C 0 0 3 0 0 0 0 0 0 -3.5209 -10.7376 0.0000 N 0 0 3 0 0 0 0 0 0 -3.6256 -11.5968 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9269 -12.2191 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5268 -9.9258 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2212 -11.2585 0.0000 C 0 0 1 0 0 0 0 0 0 -1.6664 -12.1118 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8476 -12.0341 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8477 -10.5466 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0435 -10.5216 0.0000 S 0 0 0 0 0 0 0 0 0 -2.2518 -9.8424 0.0000 O 0 0 0 0 0 0 0 0 0 3.0668 -5.8491 0.0000 N 0 0 3 0 0 0 0 0 0 3.3772 -7.1526 0.0000 C 0 0 2 0 0 0 0 0 0 4.3772 -5.8491 0.0000 C 0 0 0 0 0 0 0 0 0 3.0634 -5.0940 0.0000 C 0 0 0 0 0 0 0 0 0 3.9978 -6.7043 0.0000 O 0 0 0 0 0 0 0 0 0 3.6047 -7.8595 0.0000 C 0 0 1 0 0 0 0 0 0 4.3772 -5.0940 0.0000 C 0 0 0 0 0 0 0 0 0 5.0358 -6.2353 0.0000 N 0 0 0 0 0 0 0 0 0 3.7185 -4.7112 0.0000 N 0 0 0 0 0 0 0 0 0 4.6082 -7.1422 0.0000 C 0 0 1 0 0 0 0 0 0 4.3703 -7.8595 0.0000 C 0 0 1 0 0 0 0 0 0 3.1634 -8.4629 0.0000 O 0 0 0 0 0 0 0 0 0 5.0358 -4.7181 0.0000 C 0 0 0 0 0 0 0 0 0 5.6841 -5.8491 0.0000 C 0 0 0 0 0 0 0 0 0 5.3082 -6.9215 0.0000 C 0 0 0 0 0 0 0 0 0 4.7530 -8.3974 0.0000 O 0 0 0 0 0 0 0 0 0 5.6841 -5.0940 0.0000 N 0 0 0 0 0 0 0 0 0 5.0358 -3.9669 0.0000 N 0 0 0 0 0 0 0 0 0 6.3358 -7.4078 0.0000 O 0 0 0 0 0 0 0 0 0 5.5496 -8.3905 0.0000 P 0 0 3 0 0 0 0 0 0 7.5323 -7.4215 0.0000 P 0 0 3 0 0 0 0 0 0 5.5361 -7.6767 0.0000 O 0 0 0 0 0 0 0 0 0 6.2840 -8.4078 0.0000 O 0 0 0 0 0 0 0 0 0 5.5565 -9.1457 0.0000 O 0 0 0 0 0 0 0 0 0 7.5323 -9.0078 0.0000 O 0 0 0 0 0 0 0 0 0 7.5254 -6.6629 0.0000 O 0 0 0 0 0 0 0 0 0 8.2841 -7.4078 0.0000 O 0 0 0 0 0 0 0 0 0 7.5289 -10.5388 0.0000 P 0 0 3 0 0 0 0 0 0 6.7461 -10.5216 0.0000 O 0 0 0 0 0 0 0 0 0 7.5392 -11.4250 0.0000 O 0 0 0 0 0 0 0 0 0 8.2806 -10.5250 0.0000 O 0 0 0 0 0 0 0 0 0 6.1013 -10.1491 0.0000 C 0 0 0 0 0 0 0 0 0 5.4496 -10.5216 0.0000 C 0 0 3 0 0 0 0 0 0 4.8013 -10.1491 0.0000 C 0 0 3 0 0 0 0 0 0 5.4599 -11.1905 0.0000 C 0 0 0 0 0 0 0 0 0 5.4668 -9.7491 0.0000 C 0 0 0 0 0 0 0 0 0 4.1496 -10.5216 0.0000 C 0 0 0 0 0 0 0 0 0 4.8013 -9.3974 0.0000 O 0 0 0 0 0 0 0 0 0 3.5013 -10.1491 0.0000 N 0 0 0 0 0 0 0 0 0 4.1496 -11.2733 0.0000 O 0 0 0 0 0 0 0 0 0 2.8530 -10.5216 0.0000 C 0 0 0 0 0 0 0 0 0 2.2013 -10.1491 0.0000 C 0 0 0 0 0 0 0 0 0 1.5530 -10.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0.9047 -10.1491 0.0000 N 0 0 0 0 0 0 0 0 0 1.5530 -11.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0.2530 -10.5216 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3953 -10.1457 0.0000 C 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 4 7 1 0 0 0 9 1 1 0 0 0 8 2 1 0 0 0 8 9 1 0 0 0 1 3 1 0 0 0 9 10 1 1 0 0 2 4 1 0 0 0 8 11 1 6 0 0 2 5 1 0 0 0 11 12 1 0 0 0 3 6 1 0 0 0 11 13 2 0 0 0 3 4 1 0 0 0 15 14 1 6 0 0 14 16 1 0 0 0 14 17 1 0 0 0 15 18 1 0 0 0 15 19 1 0 0 0 16 20 2 0 0 0 16 21 1 0 0 0 17 22 2 0 0 0 18 23 1 0 0 0 19 24 1 0 0 0 19 25 1 1 0 0 20 26 1 0 0 0 21 27 2 0 0 0 23 28 1 6 0 0 24 29 1 1 0 0 26 30 2 0 0 0 26 31 1 0 0 0 28 32 1 0 0 0 29 33 1 0 0 0 32 34 1 0 0 0 33 35 1 0 0 0 33 36 1 0 0 0 33 37 2 0 0 0 34 38 1 0 0 0 34 39 1 0 0 0 34 40 2 0 0 0 38 41 1 0 0 0 41 42 1 0 0 0 41 43 1 0 0 0 41 44 2 0 0 0 42 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 46 48 1 0 0 0 46 49 1 0 0 0 47 50 1 0 0 0 47 51 1 0 0 0 50 52 1 0 0 0 50 53 2 0 0 0 52 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 56 58 2 0 0 0 57 59 1 0 0 0 59 60 1 0 0 0 60 12 1 0 0 0 20 22 1 0 0 0 23 24 1 0 0 0 27 30 1 0 0 0 M END