tretoquinol CDK 0223171737 null 25 27 0 0 0 0 0 0 0 0999 V2000 -0.3603 -3.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3603 -4.4485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3542 -3.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 -4.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3521 -4.8640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 -3.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 -5.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 -4.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3521 -5.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 -1.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7831 -3.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 -6.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3603 -6.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 -4.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 -1.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7831 -2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4975 -3.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 -5.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -4.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4975 -1.9735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -3.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -6.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 1 1 6 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 22 25 1 0 0 0 0 M END