KEGG:C10578 Celabenzine ISISHOST03240423262D 1 1.00000 0.00000 9620 29 31 0 1 0 999 V2000 -3.0414 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3241 -0.1690 0.0000 C 0 0 2 0 0 0 0 0 0 -3.7552 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0379 -1.4069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3241 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6103 -0.5793 0.0000 N 0 0 0 0 0 0 0 0 0 -4.4690 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7552 -1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6103 1.0690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9000 -0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4690 -1.4103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8966 0.6552 0.0000 N 0 0 0 0 0 0 0 0 0 -1.6172 1.8931 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1862 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1793 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0.5276 -0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0.5310 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 1.3138 -0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 1.3207 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 1.8035 0.2276 0.0000 N 0 0 3 0 0 0 0 0 0 2.5172 0.6414 0.0000 C 0 0 0 0 0 0 0 0 0 3.2276 0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 2.5138 1.4655 0.0000 O 0 0 0 0 0 0 0 0 0 3.2241 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 3.9448 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 3.9379 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 4.6586 0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 4.6552 -0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3276 -0.9931 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 7 11 2 0 0 0 9 12 1 0 0 0 9 13 2 0 0 0 10 14 1 0 0 0 12 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 21 23 2 0 0 0 22 24 2 0 0 0 22 25 1 0 0 0 24 26 1 0 0 0 25 27 2 0 0 0 26 28 2 0 0 0 8 11 1 0 0 0 19 20 1 0 0 0 27 28 1 0 0 0 2 29 1 1 0 0 M END