KEGG:C12811 Allylestrenol ISISHOST12280422372D 1 1.00000 0.00000 15786 26 29 0 1 0 999 V2000 0.7625 -9.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0.7625 -10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 1.4787 -10.6792 0.0000 C 0 0 0 0 0 0 0 0 0 1.4787 -9.0292 0.0000 C 0 0 0 0 0 0 0 0 0 2.1907 -9.4417 0.0000 C 0 0 1 0 0 0 0 0 0 2.1871 -10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 2.8998 -10.6822 0.0000 C 0 0 0 0 0 0 0 0 0 3.6161 -10.2728 0.0000 C 0 0 0 0 0 0 0 0 0 2.9069 -9.0322 0.0000 C 0 0 2 0 0 0 0 0 0 3.6161 -9.4495 0.0000 C 0 0 2 0 0 0 0 0 0 3.6296 -7.8038 0.0000 C 0 0 0 0 0 0 0 0 0 2.9136 -8.2094 0.0000 C 0 0 0 0 0 0 0 0 0 4.3388 -8.2211 0.0000 C 0 0 1 0 0 0 0 0 0 4.3289 -9.0414 0.0000 C 0 0 1 0 0 0 0 0 0 5.7497 -9.0586 0.0000 C 0 0 0 0 0 0 0 0 0 5.7597 -8.2383 0.0000 C 0 0 0 0 0 0 0 0 0 5.0542 -7.8195 0.0000 C 0 0 2 0 0 0 0 0 0 2.1833 -8.6167 0.0000 H 0 0 0 0 0 0 0 0 0 4.3333 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 5.0500 -6.9917 0.0000 O 0 0 0 0 0 0 0 0 0 5.7666 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 6.4846 -7.8063 0.0000 C 0 0 0 0 0 0 0 0 0 7.1955 -7.3877 0.0000 C 0 0 0 0 0 0 0 0 0 4.3208 -9.8625 0.0000 H 0 0 0 0 0 0 0 0 0 2.9000 -9.8542 0.0000 H 0 0 0 0 0 0 0 0 0 3.6083 -8.6208 0.0000 H 0 0 0 0 0 0 0 0 0 13 11 1 0 0 0 11 12 1 0 0 0 12 9 1 0 0 0 2 3 1 0 0 0 3 6 2 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 13 14 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 13 1 0 0 0 14 15 1 0 0 0 8 10 1 0 0 0 5 18 1 1 0 0 9 5 1 0 0 0 13 19 1 1 0 0 5 4 1 0 0 0 17 20 1 1 0 0 4 1 1 0 0 0 17 21 1 6 0 0 21 22 1 0 0 0 1 2 1 0 0 0 22 23 2 0 0 0 14 24 1 6 0 0 9 10 1 0 0 0 9 25 1 6 0 0 10 14 1 0 0 0 10 26 1 1 0 0 M END