B3XTM6 -OEChem-04012115302D 45 45 0 0 0 0 0 0 0999 V2000 1.3660 7.1760 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.8100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 5.4440 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 10.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 9.7960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 10.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 9.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7196 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 4.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5422 4.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 10.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 10.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 9.3211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 9.3211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 9.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 9.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 19 2 0 0 0 0 5 24 1 0 0 0 0 5 38 1 0 0 0 0 6 23 2 0 0 0 0 7 24 2 0 0 0 0 8 27 1 0 0 0 0 8 45 1 0 0 0 0 9 16 1 0 0 0 0 9 23 1 0 0 0 0 9 36 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 10 37 1 0 0 0 0 11 26 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 24 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 22 2 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$