BRV7J3 -OEChem-04012116522D 52 53 0 0 0 0 0 0 0999 V2000 4.5981 2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 2.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 2.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -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 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -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 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 1.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 2.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7422 3.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7207 3.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3460 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7216 3.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1284 3.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8486 2.7615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3274 3.4961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5929 3.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 4 25 1 0 0 0 0 5 19 1 0 0 0 0 6 26 1 0 0 0 0 6 28 1 0 0 0 0 7 26 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M CHG 2 2 1 8 -1 M END $$$$