BTWI21 -OEChem-04022101132D 41 43 0 1 0 0 0 0 0999 V2000 6.3479 -1.1022 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 -1.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 -0.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2614 0.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0524 2.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 -0.5144 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2433 2.0679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 0.4856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5878 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3479 1.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1569 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0524 -2.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0704 -1.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 -3.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8794 -1.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7749 -2.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 1.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 1.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0913 0.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 -1.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 -1.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -1.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -1.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 1.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 1.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6769 2.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 -2.9367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1352 -0.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7966 -3.8889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 -1.6188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2765 -3.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 3.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 41 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 16 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 16 1 1 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$