KEGG:C08771 Neoquassin ISISHOST03240423212D 1 1.00000 0.00000 7811 33 36 0 0 0 999 V2000 0.7379 -0.2517 0.0000 C 0 0 1 0 0 0 0 0 0 0.0276 0.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0.7345 -1.0793 0.0000 C 0 0 1 0 0 0 0 0 0 1.4586 0.1517 0.0000 C 0 0 2 0 0 0 0 0 0 0.7310 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6897 -0.2448 0.0000 C 0 0 2 0 0 0 0 0 0 0.0345 0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0.0207 -1.4931 0.0000 C 0 0 0 0 0 0 0 0 0 1.4483 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 1.4655 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 2.1759 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6931 -1.0724 0.0000 C 0 0 1 0 0 0 0 0 0 -1.4069 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7000 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0.7517 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6793 1.4138 0.0000 O 0 0 0 0 0 0 0 0 0 2.1690 -1.0897 0.0000 C 0 0 3 0 0 0 0 0 0 2.1862 1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4069 -1.4897 0.0000 C 0 0 1 0 0 0 0 0 0 -2.1276 -0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4069 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0.7586 2.2310 0.0000 O 0 0 0 0 0 0 0 0 0 2.8828 -1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1276 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4069 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8448 0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 1.4724 2.6517 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5690 -0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0.0207 -0.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0.7276 -1.9035 0.0000 H 0 0 0 0 0 0 0 0 0 1.4552 -0.6724 0.0000 H 0 0 0 0 0 0 0 0 0 -0.7000 -1.8966 0.0000 H 0 0 0 0 0 0 0 0 0 2.1621 -1.9138 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 1 5 1 1 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 4 11 1 0 0 0 6 12 1 0 0 0 6 13 1 0 0 0 6 14 1 1 0 0 7 15 1 0 0 0 7 16 2 0 0 0 9 17 1 0 0 0 10 18 1 0 0 0 12 19 1 0 0 0 13 20 1 0 0 0 13 21 2 0 0 0 15 22 1 0 0 0 17 23 1 0 0 0 19 24 1 0 0 0 19 25 1 6 0 0 20 26 1 0 0 0 22 27 1 0 0 0 26 28 1 0 0 0 8 12 1 0 0 0 10 15 2 0 0 0 11 17 1 0 0 0 20 24 2 0 0 0 2 29 1 6 0 0 3 30 1 1 0 0 4 31 1 1 0 0 12 32 1 6 0 0 17 33 1 4 0 0 M END