KEGG:C01313 (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1- ISISHOST03240423042D 1 1.00000 0.00000 1233 24 26 0 1 0 999 V2000 -0.2172 0.1000 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9690 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0.1448 -0.5483 0.0000 C 0 0 3 0 0 0 0 0 0 0.2483 0.6483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3345 0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3517 -0.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0.8793 -0.3931 0.0000 N 0 0 3 0 0 0 0 0 0 -0.1655 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0.9345 0.3517 0.0000 C 0 0 2 0 0 0 0 0 0 -2.0931 0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1069 -0.5448 0.0000 C 0 0 0 0 0 0 0 0 0 1.5655 -0.9069 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9517 -1.2345 0.0000 S 0 0 0 0 0 0 0 0 0 1.5759 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4793 0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5966 1.3414 0.0000 O 0 0 0 0 0 0 0 0 0 2.2276 0.3586 0.0000 N 0 0 0 0 0 0 0 0 0 1.5759 1.4931 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2138 0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2897 1.0345 0.0000 C 0 0 0 0 0 0 0 0 0 2.2310 -0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 2.9241 -0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 3.5379 -0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 2.9241 -1.3966 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 7 12 1 0 0 0 8 13 1 0 0 0 9 14 1 1 0 0 10 15 2 0 0 0 10 16 1 0 0 0 14 17 1 0 0 0 14 18 2 0 0 0 15 19 1 0 0 0 16 20 1 0 0 0 17 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 22 24 2 0 0 0 7 9 1 0 0 0 11 15 1 0 0 0 19 20 1 0 0 0 M END