B76EBQ -OEChem-04012112082D 38 41 0 1 0 0 0 0 0999 V2000 7.8448 -1.7310 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.5242 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9883 -0.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 1.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2989 1.7795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 1.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 0.0242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1017 -0.4758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9493 1.8075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6441 2.1647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8008 0.8755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 0.5242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0420 -0.4758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9883 0.8290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5719 0.0242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1760 -0.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1555 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1555 -0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8503 1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6936 2.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 -2.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 1.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 -1.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6008 0.9252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 -0.5281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 -1.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5746 -1.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8849 2.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5657 3.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0512 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9267 -2.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9741 -2.0612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2623 1.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9287 0.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 5 18 1 0 0 0 0 16 6 1 1 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 17 9 1 6 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 20 2 0 0 0 0 10 21 1 0 0 0 0 11 19 2 0 0 0 0 11 23 1 0 0 0 0 12 22 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 6 0 0 0 15 18 1 0 0 0 0 15 26 1 1 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 M END $$$$