BE47XG -OEChem-04012119352D 58 61 0 1 0 0 0 0 0999 V2000 3.6585 -2.2307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9558 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4381 -1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0362 2.3626 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.5003 3.3626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3663 2.8626 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.2323 2.3626 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.1702 1.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1702 0.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9022 1.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0362 3.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3041 0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0362 0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3041 -0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7682 2.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0362 -0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1702 -1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4381 -2.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5721 -2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 -3.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4676 -3.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9022 3.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0827 -4.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9894 -2.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -5.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 -4.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7682 4.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6343 4.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 -6.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5003 4.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6343 5.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3663 4.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5003 6.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3663 5.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9581 2.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5596 1.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5037 1.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 1.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8241 3.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 3.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7672 0.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5731 0.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0782 1.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3052 2.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4582 2.8995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5731 -0.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1702 -1.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6502 -2.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -2.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9283 -4.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3728 -2.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -5.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 -4.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0424 -6.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0973 6.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9033 4.5526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5003 6.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9033 6.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 26 1 0 0 0 0 2 29 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 22 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 13 16 2 0 0 0 0 13 42 1 0 0 0 0 14 17 2 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 50 1 0 0 0 0 22 27 3 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 51 1 0 0 0 0 25 29 2 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 54 1 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 32 34 1 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 M CHG 2 6 1 7 -1 M END $$$$