KEGG:C00599 Cholest-4-en-3-one ISISHOST03240423022D 1 1.00000 0.00000 576 31 34 0 1 0 999 V2000 0.2276 -0.2655 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4793 -0.6862 0.0000 C 0 0 1 0 0 0 0 0 0 0.2207 0.5586 0.0000 C 0 0 1 0 0 0 0 0 0 1.0069 -0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2000 -0.2793 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4724 -1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 0.8103 0.0000 C 0 0 2 0 0 0 0 0 0 -0.4966 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0.3586 1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 1.4724 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9103 -0.6966 0.0000 C 0 0 2 0 0 0 0 0 0 -1.2069 0.5448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2000 -1.9448 0.0000 C 0 0 0 0 0 0 0 0 0 1.2724 1.6035 0.0000 C 0 0 1 0 0 0 0 0 0 -1.9103 -1.5241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6207 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9103 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 2.0793 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0.7345 2.2241 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6207 -1.9448 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3345 -0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 2.6138 1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3345 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 3.4103 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0552 -1.9793 0.0000 O 0 0 0 0 0 0 0 0 0 3.9448 0.6517 0.0000 C 0 0 3 0 0 0 0 0 0 3.6517 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 4.7517 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0.2345 -1.0897 0.0000 H 0 0 0 0 0 0 0 0 0 -0.4897 0.1379 0.0000 H 0 0 0 0 0 0 0 0 0 -1.1897 -1.1138 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 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 3 9 1 1 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 7 14 1 0 0 0 11 15 1 0 0 0 11 16 1 0 0 0 11 17 1 1 0 0 14 18 1 0 0 0 14 19 1 6 0 0 15 20 2 0 0 0 16 21 1 0 0 0 18 22 1 0 0 0 20 23 1 0 0 0 22 24 1 0 0 0 23 25 2 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 7 10 1 1 0 0 8 12 1 0 0 0 13 15 1 0 0 0 21 23 1 0 0 0 1 29 1 6 0 0 2 30 1 1 0 0 5 31 1 6 0 0 M END