KEGG:C09071 Cascarillin ISISHOST03240423212D 1 1.00000 0.00000 8111 30 32 0 0 0 999 V2000 -0.5724 -0.3207 0.0000 C 0 0 2 0 0 0 0 0 0 0.1483 0.0897 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5759 -1.1483 0.0000 C 0 0 1 0 0 0 0 0 0 -1.2897 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0.8621 -0.3241 0.0000 C 0 0 1 0 0 0 0 0 0 -0.0724 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0.7310 0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0.1379 -1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2897 -1.5655 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5862 -1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0103 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0.8586 -1.1552 0.0000 C 0 0 1 0 0 0 0 0 0 1.5828 0.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0.3345 1.6138 0.0000 C 0 0 2 0 0 0 0 0 0 1.5621 0.6862 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0103 -1.1483 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8828 -2.2759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8793 -2.1483 0.0000 O 0 0 0 0 0 0 0 0 0 1.5759 -1.5724 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0759 2.3310 0.0000 C 0 0 0 0 0 0 0 0 0 1.1655 1.6138 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7276 -1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 2.2897 -1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9034 2.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0.1345 3.1310 0.0000 C 0 0 0 0 0 0 0 0 0 3.0035 -1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 2.2862 -0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2034 3.0586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5621 3.5828 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5793 0.5034 0.0000 H 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 1 0 0 0 2 6 1 1 0 0 2 7 1 6 0 0 3 8 1 0 0 0 3 9 1 0 0 0 3 10 1 6 0 0 4 11 1 0 0 0 5 12 1 0 0 0 5 13 1 6 0 0 6 14 1 0 0 0 7 15 2 0 0 0 9 16 1 0 0 0 9 17 1 6 0 0 9 18 1 1 0 0 12 19 1 6 0 0 14 20 1 0 0 0 14 21 1 6 0 0 16 22 1 6 0 0 19 23 1 0 0 0 20 24 1 0 0 0 20 25 2 0 0 0 23 26 1 0 0 0 23 27 2 0 0 0 24 28 2 0 0 0 25 29 1 0 0 0 8 12 1 0 0 0 11 16 1 0 0 0 28 29 1 0 0 0 1 30 1 1 0 0 M END