BP7K4E -OEChem-04012113292D 47 51 0 0 0 0 0 0 0999 V2000 4.9526 2.9808 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 -1.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3644 -3.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0964 -3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 0.4634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 1.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 1.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7571 1.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7490 0.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8390 -0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 -0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 -1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8390 -1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 -1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -1.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 -0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 -1.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6443 2.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2246 -2.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9586 2.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 1.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2936 3.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3143 3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7389 2.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3478 1.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2523 2.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4540 2.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3671 1.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9706 2.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9536 -0.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3607 0.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3760 -1.3812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 -2.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8327 0.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2286 -0.1289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8423 1.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4701 1.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9048 -1.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 4.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3928 2.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 3.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3716 -3.7358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 43 1 0 0 0 0 3 22 1 0 0 0 0 3 47 1 0 0 0 0 4 22 2 0 0 0 0 5 12 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 23 1 0 0 0 0 21 25 2 0 0 0 0 23 26 2 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$