BTJ31P -OEChem-04022101452D 29 31 0 0 0 0 0 0 0999 V2000 3.8936 -2.2791 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3579 1.0707 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.2258 1.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8612 1.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8545 0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 -0.6697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 -2.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6898 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7839 -2.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1825 -1.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3073 -2.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1044 -2.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0152 -0.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 0.8709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5854 1.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2282 2.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1733 2.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 15 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 6 13 1 0 0 0 0 6 18 2 0 0 0 0 7 18 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 M END $$$$