B3DM8C -OEChem-04022109552D 56 59 0 0 0 0 0 0 0999 V2000 6.6015 -0.0287 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4132 1.5577 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9228 -2.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0635 0.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4344 7.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7196 6.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -7.7743 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -6.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 -2.8961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6527 1.2820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -6.8238 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3392 -1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0157 2.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3453 2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7084 3.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9228 -2.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 -0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 -3.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3788 4.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -1.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6032 0.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -4.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 5.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 -5.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 -4.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7418 6.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -6.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3357 -5.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 2.4863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5637 3.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 2.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 1.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 4.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1604 3.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0324 -4.3345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -3.5546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 4.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9267 4.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -0.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -3.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6905 6.1099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5235 5.3306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -1.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -2.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 -5.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8109 -3.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8175 -6.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -5.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8501 7.7743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 25 1 0 0 0 0 2 25 2 0 0 0 0 3 18 2 0 0 0 0 4 21 2 0 0 0 0 5 32 1 0 0 0 0 5 56 1 0 0 0 0 6 32 2 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 10 16 1 0 0 0 0 10 21 1 0 0 0 0 10 25 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 19 2 0 0 0 0 13 14 1 0 0 0 0 13 23 2 0 0 0 0 14 24 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 22 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 19 21 1 0 0 0 0 20 26 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 22 27 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 28 1 0 0 0 0 23 46 1 0 0 0 0 24 29 1 0 0 0 0 24 47 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 33 1 0 0 0 0 30 52 1 0 0 0 0 31 34 2 0 0 0 0 31 53 1 0 0 0 0 33 35 2 0 0 0 0 33 54 1 0 0 0 0 34 35 1 0 0 0 0 34 55 1 0 0 0 0 M CHG 2 7 -1 11 1 M END $$$$