BERJ32 -OEChem-04012115492D 56 58 0 1 0 0 0 0 0999 V2000 13.8566 -0.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0061 1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 0.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5497 3.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2817 3.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3265 -1.2356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0967 -3.2944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8566 -3.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 -1.7598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -0.2156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5887 -3.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 -1.7390 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0967 -1.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 -2.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9906 -1.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9906 -2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -1.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8566 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5945 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 -2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5983 -0.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7265 -1.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 0.2877 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8663 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7342 0.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8624 -1.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -0.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4138 2.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1942 -1.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5013 -0.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7030 -0.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5798 -2.6745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9816 -3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3289 -0.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1038 -3.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0582 -2.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8553 -2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2596 -1.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1365 0.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7241 -2.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8842 1.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4883 1.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7366 0.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -1.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1319 -0.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 1.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 1.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5887 -3.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1256 -2.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5521 3.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 29 2 0 0 0 0 3 31 1 0 0 0 0 3 55 1 0 0 0 0 4 31 2 0 0 0 0 5 32 1 0 0 0 0 5 56 1 0 0 0 0 6 32 2 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 38 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 39 1 0 0 0 0 9 17 1 0 0 0 0 9 21 2 0 0 0 0 10 19 1 0 0 0 0 10 21 1 0 0 0 0 10 42 1 0 0 0 0 11 24 1 0 0 0 0 11 29 1 0 0 0 0 11 50 1 0 0 0 0 12 21 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 27 1 0 0 0 0 22 43 1 0 0 0 0 23 28 2 0 0 0 0 23 44 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$