B3AUY6 -OEChem-04012117322D 28 29 0 1 0 0 0 0 0999 V2000 8.1301 -0.4573 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6301 0.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6301 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.9573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.0427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3981 -0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -0.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -0.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 0.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 1.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$