BIA50K -OEChem-04022101132D 47 46 0 1 0 0 0 0 0999 V2000 6.3301 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4344 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8144 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 1 40 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 18 3 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 3 0 0 0 0 M END $$$$