BXG18E -OEChem-04022108042D 50 47 0 1 0 0 0 0 0999 V2000 3.0981 1.3660 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 14.1244 1.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0981 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.3923 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 3 11 1 0 0 0 0 4 18 2 0 0 0 0 5 23 1 0 0 0 0 8 22 2 0 0 0 0 9 26 1 0 0 0 0 10 26 2 0 0 0 0 15 11 1 6 0 0 0 11 34 1 0 0 0 0 12 18 1 0 0 0 0 20 12 1 1 0 0 0 12 38 1 0 0 0 0 13 22 1 0 0 0 0 13 24 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 M CHG 4 1 1 2 1 6 -1 9 -1 M END $$$$