KEGG:C02138 Boc-Asn-OPhNO2 ISISHOST03240423052D 1 1.00000 0.00000 1940 25 25 0 1 0 999 V2000 0.0448 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6034 0.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0.6966 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0.0448 1.7724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6034 -0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 1.3483 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0.6931 2.1517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2586 -0.4448 0.0000 C 0 0 1 0 0 0 0 0 0 0.0345 -0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 1.3448 1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2655 -1.2207 0.0000 N 0 0 0 0 0 0 0 0 0 -1.9310 -0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 1.9931 2.1517 0.0000 N 0 3 0 0 0 0 0 0 0 -0.6138 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5414 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 1.9862 3.2966 0.0000 O 0 0 0 0 0 0 0 0 0 2.8897 1.8310 0.0000 O 0 5 0 0 0 0 0 0 0 0.0345 -1.2172 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6138 -2.3448 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5552 -1.1621 0.0000 N 0 0 0 0 0 0 0 0 0 -3.2241 -0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0.6828 -1.5931 0.0000 C 0 0 3 0 0 0 0 0 0 1.3310 -1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0.6862 -2.3414 0.0000 C 0 0 0 0 0 0 0 0 0 1.4034 -1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 5 9 2 0 0 0 6 10 1 0 0 0 8 11 1 1 0 0 8 12 1 0 0 0 10 13 1 0 0 0 11 14 1 0 0 0 12 15 1 0 0 0 13 16 2 0 0 0 13 17 1 0 0 0 14 18 1 0 0 0 14 19 2 0 0 0 15 20 1 0 0 0 15 21 2 0 0 0 18 22 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 7 10 2 0 0 0 M CHG 2 13 1 17 -1 M END