BA5RK3 -OEChem-04012113332D 40 40 0 0 0 0 0 0 0999 V2000 6.3301 3.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1800 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 6 1 0 0 0 0 1 12 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 33 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$