B3CYR9 -OEChem-04012114382D 42 44 0 1 0 0 0 0 0999 V2000 4.6783 4.0373 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.5005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.9636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.4278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.9636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7619 2.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 3.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 4.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 4.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -1.4961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -0.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 0.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -0.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -1.4266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 1.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 1.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 4.6355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -2.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -1.4266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 3.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 4.6355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -4.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 3 19 1 0 0 0 0 3 42 1 0 0 0 0 4 19 2 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 0 0 0 0 10 6 1 1 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 14 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 19 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 21 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 23 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$