KEGG:C02088 Tos-Phe-CH2Cl ISISHOST03240423052D 1 1.00000 0.00000 1894 23 24 0 1 0 999 V2000 -1.1586 0.0414 0.0000 C 0 0 1 0 0 0 0 0 0 -0.3276 0.0483 0.0000 N 0 0 0 0 0 0 0 0 0 -1.5655 -0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5724 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0.0793 0.7690 0.0000 S 0 0 3 0 0 0 0 0 0 -1.1448 -1.3759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1724 1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4035 0.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0.9034 0.7759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3379 1.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0.6690 0.1897 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3172 -1.3690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5552 -2.1069 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5931 2.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 1.3207 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 1.3069 1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0.1000 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1345 -2.8103 0.0000 C 0 0 0 0 0 0 0 0 0 2.1448 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 2.1345 1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3034 -2.8069 0.0000 C 0 0 0 0 0 0 0 0 0 2.5517 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 3.3759 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 5 10 2 0 0 0 5 11 2 0 0 0 6 12 1 0 0 0 6 13 2 0 0 0 7 14 1 0 0 0 9 15 2 0 0 0 9 16 1 0 0 0 12 17 2 0 0 0 13 18 1 0 0 0 15 19 1 0 0 0 16 20 2 0 0 0 17 21 1 0 0 0 19 22 2 0 0 0 22 23 1 0 0 0 18 21 2 0 0 0 20 22 1 0 0 0 M END