BE0JN4 -OEChem-04022105282D 50 53 0 1 0 0 0 0 0999 V2000 14.2725 -0.8474 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.4573 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8981 -0.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8981 1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.4573 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2641 0.9573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.5427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2725 0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8561 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9837 -0.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3822 -1.1253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1267 1.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 1.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8588 1.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0617 1.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0617 -1.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8588 -1.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 -0.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 -0.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 1.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 1.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 -0.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5287 -0.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4651 1.3514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4761 -0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 19 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 16 1 0 0 0 0 6 44 1 0 0 0 0 7 22 2 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 46 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 M END $$$$