BA1D4J -OEChem-04022106112D 50 53 0 1 0 0 0 0 0999 V2000 4.6660 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 30 1 0 0 0 0 2 11 2 0 0 0 0 3 17 2 0 0 0 0 6 4 1 1 0 0 0 4 11 1 0 0 0 0 4 32 1 0 0 0 0 5 9 1 0 0 0 0 5 13 2 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 9 16 2 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 14 20 1 0 0 0 0 14 34 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 18 24 1 0 0 0 0 18 36 1 0 0 0 0 19 25 2 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 27 1 0 0 0 0 22 40 1 0 0 0 0 23 28 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$