KEGG:C08723 Monardaein ISISHOST03240423202D 1 1.00000 0.00000 7763 65 70 0 0 0 999 V2000 -0.6138 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6138 1.6793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1414 0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0862 0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0862 1.9897 0.0000 O 0 3 0 0 0 0 0 0 0 -1.1414 1.9897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1414 0.1586 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6655 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0.4448 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0.4448 1.6793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6655 1.6793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7345 -0.2138 0.0000 C 0 0 2 0 0 0 0 0 0 0.9897 0.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0.9724 1.9897 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1931 1.9897 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2690 0.0621 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7103 -0.8172 0.0000 C 0 0 1 0 0 0 0 0 0 1.6138 0.3862 0.0000 C 0 0 2 0 0 0 0 0 0 1.5069 1.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0.9724 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7862 -0.2586 0.0000 C 0 0 1 0 0 0 0 0 0 -2.2276 -1.1483 0.0000 C 0 0 2 0 0 0 0 0 0 -1.1724 -1.1103 0.0000 O 0 0 0 0 0 0 0 0 0 1.6000 -0.2207 0.0000 O 0 0 0 0 0 0 0 0 0 2.1379 0.6828 0.0000 C 0 0 1 0 0 0 0 0 0 2.0310 1.9897 0.0000 C 0 0 0 0 0 0 0 0 0 1.5000 2.9069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7655 -0.8586 0.0000 C 0 0 2 0 0 0 0 0 0 -3.3276 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2069 -1.7414 0.0000 O 0 0 0 0 0 0 0 0 0 2.1207 -0.5310 0.0000 C 0 0 1 0 0 0 0 0 0 2.6621 0.3759 0.0000 C 0 0 2 0 0 0 0 0 0 2.1448 1.2828 0.0000 O 0 0 0 0 0 0 0 0 0 2.0310 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2862 -1.1828 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8517 -0.2724 0.0000 O 0 0 0 0 0 0 0 0 0 2.6552 -0.2345 0.0000 C 0 0 2 0 0 0 0 0 0 2.1103 -1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 3.1931 0.6655 0.0000 O 0 0 0 0 0 0 0 0 0 2.5552 2.9069 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2690 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3862 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 3.1690 -0.5483 0.0000 O 0 0 0 0 0 0 0 0 0 2.6138 -1.4414 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7931 -2.1241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7276 -2.0897 0.0000 O 0 0 0 0 0 0 0 0 0 -4.9103 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3862 0.6379 0.0000 O 0 0 0 0 0 0 0 0 0 3.1586 -1.7483 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3379 -1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 -5.4379 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 3.6897 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 3.1586 -2.3552 0.0000 O 0 0 0 0 0 0 0 0 0 -4.8586 -2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3552 -1.2138 0.0000 O 0 0 0 0 0 0 0 0 0 -5.4379 0.6379 0.0000 O 0 0 0 0 0 0 0 0 0 -5.9655 -0.2724 0.0000 O 0 0 0 0 0 0 0 0 0 4.2069 -1.7483 0.0000 C 0 0 0 0 0 0 0 0 0 4.7379 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 5.2552 -1.7483 0.0000 C 0 0 0 0 0 0 0 0 0 4.7345 -0.8345 0.0000 C 0 0 0 0 0 0 0 0 0 5.7862 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 5.2552 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 5.7862 -0.8345 0.0000 C 0 0 0 0 0 0 0 0 0 6.3103 -0.5379 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 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 3 8 2 0 0 0 4 9 2 0 0 0 5 10 2 0 0 0 6 11 2 0 0 0 12 7 1 1 0 0 9 13 1 0 0 0 10 14 1 0 0 0 11 15 1 0 0 0 12 16 1 0 0 0 12 17 1 0 0 0 18 13 1 1 0 0 14 19 2 0 0 0 14 20 1 0 0 0 16 21 1 0 0 0 17 22 1 0 0 0 17 23 1 6 0 0 18 24 1 0 0 0 18 25 1 0 0 0 19 26 1 0 0 0 20 27 2 0 0 0 21 28 1 0 0 0 21 29 1 1 0 0 22 30 1 1 0 0 24 31 1 0 0 0 25 32 1 0 0 0 25 33 1 6 0 0 26 34 2 0 0 0 28 35 1 6 0 0 29 36 1 0 0 0 31 37 1 0 0 0 31 38 1 1 0 0 32 39 1 1 0 0 34 40 1 0 0 0 35 41 1 0 0 0 36 42 1 0 0 0 37 43 1 6 0 0 38 44 1 0 0 0 41 45 1 0 0 0 41 46 2 0 0 0 42 47 1 0 0 0 42 48 2 0 0 0 44 49 1 0 0 0 45 50 1 0 0 0 47 51 1 0 0 0 49 52 1 0 0 0 49 53 2 0 0 0 50 54 1 0 0 0 50 55 2 0 0 0 51 56 1 0 0 0 51 57 2 0 0 0 52 58 2 0 0 0 58 59 1 0 0 0 59 60 2 0 0 0 59 61 1 0 0 0 60 62 1 0 0 0 61 63 2 0 0 0 62 64 2 0 0 0 64 65 1 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 22 28 1 0 0 0 27 34 1 0 0 0 32 37 1 0 0 0 63 64 1 0 0 0 M CHG 1 5 1 M END