BWQ2B4 -OEChem-04022118433D 53 54 0 0 0 0 0 0 0999 V2000 0.1045 3.4445 -0.2004 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3013 -1.2795 -0.5142 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4149 4.2360 0.9702 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 4.0563 -1.5069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8913 -1.3761 1.7327 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9253 -1.1861 1.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9989 -2.4063 0.1543 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3095 2.5264 0.1053 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2507 0.4941 0.5117 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1224 -0.9295 -0.5627 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 1.7487 -1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 1.6992 1.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2365 1.2459 -0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6837 1.1987 1.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8209 -0.7720 0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2964 2.1469 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9038 -2.5770 -0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5663 1.5481 -1.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 1.7203 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8564 -3.5736 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0895 -2.5107 0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3725 -2.9439 -1.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5079 0.5225 -1.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 0.6947 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1796 0.0958 -0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -1.4742 0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 -2.5691 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1629 -3.7798 -0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1775 0.8939 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 2.3804 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 2.2947 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.8340 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9251 2.0900 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6073 0.6417 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6646 0.5506 2.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3507 2.0407 1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0534 1.8623 -2.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7723 2.1714 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8999 -3.4239 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6547 -3.5295 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1848 -4.6015 -0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8194 -2.5182 1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6881 -1.6094 0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7437 -3.3796 0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5307 -2.9439 -2.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0885 -2.2040 -2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8468 -3.9303 -1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 0.0642 -2.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 0.4134 1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 -1.3118 -1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8903 -4.5963 -0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3085 -4.0991 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -3.5586 -1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 5 15 2 0 0 0 0 6 26 2 0 0 0 0 7 27 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 50 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 37 1 0 0 0 0 19 24 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END $$$$