B1G6EF -OEChem-04022100492D 54 57 0 1 0 0 0 0 0999 V2000 13.1901 2.2500 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 0.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 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 8.9282 -1.2500 0.0000 O 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 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 1 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 8.9282 1.7500 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 8.0622 0.2500 0.0000 C 0 0 0 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 12.1901 1.2500 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 5.4641 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 4.5981 0.2500 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 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 10.8207 -0.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -1.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7679 -0.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6853 -2.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6352 -2.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.0600 0.0000 H 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 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 8.9282 -1.8700 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 6.8671 -0.0600 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 5.7932 -1.0600 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 5.1350 -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 27 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 29 1 0 0 0 0 5 31 1 0 0 0 0 6 33 1 0 0 0 0 7 17 1 0 0 0 0 7 45 1 0 0 0 0 8 22 2 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 21 1 0 0 0 0 11 19 2 0 0 0 0 11 24 1 0 0 0 0 12 24 2 0 0 0 0 25 13 1 6 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 18 17 1 6 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 32 2 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 M END $$$$