KEGG:C05370 Calyculin A ISISHOST03240423122D 1 1.00000 0.00000 4553 71 73 0 1 0 999 V2000 -0.5966 -0.4793 0.0000 C 0 0 1 0 0 0 0 0 0 -0.9448 -0.1241 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1586 -0.1966 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1724 -0.7379 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0345 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8862 0.2931 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1414 0.2931 0.0000 C 0 0 2 0 0 0 0 0 0 0.4966 -0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0.1586 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1724 -1.2172 0.0000 C 0 0 1 0 0 0 0 0 0 -1.0345 -1.2172 0.0000 C 0 0 1 0 0 0 0 0 0 -1.3103 0.5310 0.0000 C 0 0 2 0 0 0 0 0 0 0.0862 0.6897 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5966 -1.4724 0.0000 C 0 0 1 0 0 0 0 0 0 0.2172 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4414 -1.4414 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3103 0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7310 0.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0.6034 0.6897 0.0000 P 0 0 3 0 0 0 0 0 0 -0.5828 -1.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0.6414 -1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7207 1.2448 0.0000 C 0 0 1 0 0 0 0 0 0 -1.7483 -0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0.5414 0.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0.6034 1.1552 0.0000 O 0 0 0 0 0 0 0 0 0 1.0793 0.6897 0.0000 O 0 0 0 0 0 0 0 0 0 1.0345 -1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7207 1.7069 0.0000 C 0 0 2 0 0 0 0 0 0 -2.1276 1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 1.4586 -1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1276 1.9586 0.0000 C 0 0 1 0 0 0 0 0 0 -1.3103 1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 1.8828 -1.4414 0.0000 N 0 0 0 0 0 0 0 0 0 1.4897 -0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0828 2.3655 0.0000 C 0 0 1 0 0 0 0 0 0 -2.5621 1.7966 0.0000 O 0 0 0 0 0 0 0 0 0 2.1897 -1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 1.9552 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4759 2.6276 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6138 2.5103 0.0000 C 0 0 0 0 0 0 0 0 0 2.6207 -1.1035 0.0000 C 0 0 2 0 0 0 0 0 0 -2.3690 3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 2.8448 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 2.9000 -0.7276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8414 3.2828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9517 3.1690 0.0000 C 0 0 0 0 0 0 0 0 0 2.5931 -1.9035 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8241 3.7483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2483 3.0828 0.0000 C 0 0 0 0 0 0 0 0 0 2.7862 -2.3276 0.0000 N 0 0 0 0 0 0 0 0 0 -3.3483 4.0103 0.0000 C 0 0 0 0 0 0 0 0 0 2.5517 -2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4517 4.4621 0.0000 C 0 0 0 0 0 0 0 0 0 2.7586 -3.1448 0.0000 C 0 0 2 0 0 0 0 0 0 2.0862 -2.7069 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8931 4.5966 0.0000 C 0 0 0 0 0 0 0 0 0 3.2172 -3.1724 0.0000 C 0 0 2 0 0 0 0 0 0 2.4931 -3.5379 0.0000 O 0 0 0 0 0 0 0 0 0 -3.8345 5.1793 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4897 4.4034 0.0000 C 0 0 0 0 0 0 0 0 0 3.4241 -3.5690 0.0000 C 0 0 2 0 0 0 0 0 0 3.4690 -2.7759 0.0000 O 0 0 0 0 0 0 0 0 0 -3.3483 5.4414 0.0000 C 0 0 0 0 0 0 0 0 0 3.8931 -3.6103 0.0000 C 0 0 0 0 0 0 0 0 0 3.1828 -3.9586 0.0000 N 0 0 3 0 0 0 0 0 0 -2.8241 5.7448 0.0000 N 0 0 0 0 0 0 0 0 0 4.1103 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 2.7276 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 3.3655 -4.3828 0.0000 C 0 0 0 0 0 0 0 0 0 4.5655 -4.0310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8690 0.8241 0.0000 H 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 1 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 6 12 1 0 0 0 7 13 1 6 0 0 10 14 1 0 0 0 10 15 1 6 0 0 11 16 1 1 0 0 12 17 1 0 0 0 12 18 1 1 0 0 13 19 1 0 0 0 14 20 1 6 0 0 15 21 1 0 0 0 17 22 1 0 0 0 18 23 1 0 0 0 19 24 1 0 0 0 19 25 1 0 0 0 19 26 2 0 0 0 21 27 2 0 0 0 22 28 1 0 0 0 22 29 1 6 0 0 27 30 1 0 0 0 28 31 1 0 0 0 28 32 1 6 0 0 30 33 1 0 0 0 30 34 2 0 0 0 31 35 1 0 0 0 31 36 1 6 0 0 33 37 2 0 0 0 34 38 1 0 0 0 35 39 1 0 0 0 35 40 1 1 0 0 37 41 1 0 0 0 39 42 2 0 0 0 41 43 1 0 0 0 41 44 1 1 0 0 42 45 1 0 0 0 42 46 1 0 0 0 43 47 1 0 0 0 45 48 2 0 0 0 45 49 1 0 0 0 47 50 1 0 0 0 48 51 1 0 0 0 50 52 1 0 0 0 51 53 2 0 0 0 52 54 1 0 0 0 52 55 2 0 0 0 53 56 1 0 0 0 54 57 1 0 0 0 54 58 1 6 0 0 56 59 2 0 0 0 56 60 1 0 0 0 57 61 1 0 0 0 57 62 1 1 0 0 59 63 1 0 0 0 61 64 1 0 0 0 61 65 1 6 0 0 63 66 3 0 0 0 64 67 1 0 0 0 65 68 1 0 0 0 65 69 1 0 0 0 67 70 1 0 0 0 6 7 1 0 0 0 11 14 1 0 0 0 37 38 1 0 0 0 6 71 1 1 0 0 M END