BNU3A1 -OEChem-04012117122D 40 41 0 1 0 0 0 0 0999 V2000 4.5411 -0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 -2.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 -2.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.9199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -0.3811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9230 -0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.9199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8144 -2.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 -2.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9189 -3.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7098 -1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 -2.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 -0.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -0.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 -1.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9506 -2.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 -2.6641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8737 -3.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4255 -2.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7441 -1.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3023 -3.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9837 -4.2355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5355 -3.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3264 -1.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6450 -1.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0932 -1.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.9289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 11 2 1 6 0 0 0 2 12 1 0 0 0 0 8 3 1 1 0 0 0 3 26 1 0 0 0 0 4 17 2 0 0 0 0 5 19 2 0 0 0 0 9 6 1 6 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 37 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$