B6KL3D -OEChem-04022106362D 52 55 0 0 0 0 0 0 0999 V2000 4.4487 2.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.6156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.8180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -4.2088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 4.8844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -4.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -4.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -4.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -5.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 4.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 4.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 5.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 5.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 6.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -2.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -5.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -4.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -1.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3568 -3.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -2.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7368 -2.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -6.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 -6.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -6.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6362 -5.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -4.8872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 0.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 0.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 1.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 1.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 3.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3706 2.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 4.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 6.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 6.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 7.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 25 1 0 0 0 0 2 16 2 0 0 0 0 3 8 1 0 0 0 0 3 16 1 0 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 19 1 0 0 0 0 4 38 1 0 0 0 0 5 10 1 0 0 0 0 5 19 2 0 0 0 0 6 26 1 0 0 0 0 6 29 2 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 24 2 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$