$RXN chemdig rzepa example_rxn ISIS 062119991256 Penicillin to Cephalosporin 1 1 $MOL -ISIS- 06219912562D 11 12 0 0 0 0 0 0 0 0999 V2000 1.2875 -10.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2833 -11.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -10.9791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0333 -11.7291 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3324 -11.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3365 -10.9864 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6891 -10.6078 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.7500 -12.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 -9.8578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 -10.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3402 -10.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 3 1 0 0 0 0 4 5 1 0 0 0 0 2 4 1 0 0 0 0 2 8 2 0 0 0 0 3 1 1 0 0 0 0 7 9 2 0 0 0 0 1 2 1 0 0 0 0 6 10 1 0 0 0 0 3 4 1 0 0 0 0 6 11 1 0 0 0 0 M END $MOL -ISIS- 06219912562D 10 11 0 0 0 0 0 0 0 0999 V2000 7.3000 -10.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -11.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -10.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0500 -11.3458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6996 -11.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3491 -11.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3491 -10.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6996 -10.2208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7697 -11.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -11.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 3 1 1 0 0 0 0 2 9 2 0 0 0 0 1 2 1 0 0 0 0 6 10 1 0 0 0 0 M END