KEGG:C05480 3alpha-Hydroxy-5beta-pregnane-20-one ISISHOST03240423122D 1 1.00000 0.00000 4651 23 26 0 1 0 999 V2000 -0.7621 -0.2069 0.0000 C 0 0 3 0 0 0 0 0 0 0.5655 -0.9690 0.0000 C 0 0 3 0 0 0 0 0 0 -2.1034 -0.9690 0.0000 C 0 0 3 0 0 0 0 0 0 -0.7621 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 1.9172 -0.2069 0.0000 C 0 0 3 0 0 0 0 0 0 0.5655 -2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1207 -2.4862 0.0000 C 0 0 3 0 0 0 0 0 0 -3.4310 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1034 0.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0.5655 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 1.9310 1.3103 0.0000 C 0 0 3 0 0 0 0 0 0 3.3655 -0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7621 -3.2724 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4448 -3.2517 0.0000 C 0 0 0 0 0 0 0 0 0 -4.7759 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 3.3828 1.7724 0.0000 C 0 0 3 0 0 0 0 0 0 1.9379 2.9241 0.0000 C 0 0 0 0 0 0 0 0 0 4.2310 0.5655 0.0000 C 0 0 0 0 0 0 0 0 0 -4.7897 -2.4862 0.0000 C 0 0 1 0 0 0 0 0 0 4.0414 3.1690 0.0000 C 0 0 0 0 0 0 0 0 0 -6.1655 -3.2517 0.0000 O 0 0 0 0 0 0 0 0 0 5.5621 3.3103 0.0000 C 0 0 0 0 0 0 0 0 0 3.1552 4.4241 0.0000 O 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 0 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 8 15 1 0 0 0 11 16 1 0 0 0 11 17 1 0 0 0 12 18 1 0 0 0 14 19 1 0 0 0 16 20 1 0 0 0 19 21 1 6 0 0 20 22 1 0 0 0 20 23 2 0 0 0 7 13 1 0 0 0 10 11 1 0 0 0 15 19 1 0 0 0 16 18 1 0 0 0 M END