B3OJ9A -OEChem-04022110392D 43 45 0 1 0 0 0 0 0999 V2000 3.7320 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.1901 1.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 0.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 0.4453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 2.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 6 28 1 0 0 0 0 7 19 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 18 2 0 0 0 0 10 22 1 0 0 0 0 11 22 2 0 0 0 0 16 12 1 6 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$