B78JCN -OEChem-04022107392D 49 51 0 1 0 0 0 0 0999 V2000 2.8660 0.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 26 1 0 0 0 0 4 29 1 0 0 0 0 4 49 1 0 0 0 0 5 29 2 0 0 0 0 10 6 1 1 0 0 0 6 12 1 0 0 0 0 6 31 1 0 0 0 0 7 12 2 0 0 0 0 7 17 1 0 0 0 0 8 14 1 0 0 0 0 8 37 1 0 0 0 0 9 14 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 15 20 1 0 0 0 0 15 35 1 0 0 0 0 16 21 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 27 2 0 0 0 0 24 43 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$