B5JDP8 -OEChem-04012117222D 40 41 0 1 0 0 0 0 0999 V2000 6.3301 -1.0791 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 1.9451 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -1.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.5999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.4418 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8222 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 -1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2657 0.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2158 1.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4176 1.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4176 -1.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2158 -1.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 -0.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8066 0.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2025 1.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -2.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -2.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -2.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$