B89CMZ -OEChem-04012119542D 43 44 0 1 0 0 0 0 0999 V2000 7.0456 2.4271 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 3.9911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5769 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4171 3.9882 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8547 3.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7366 3.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3807 0.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3328 -0.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1534 1.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6344 -3.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3473 -2.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0946 1.1181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3807 2.8308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6855 -0.8851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0946 2.1181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6334 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0456 0.8091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0863 2.1223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0863 1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4425 1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4425 2.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3547 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 -1.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7074 -0.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7086 3.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3254 -2.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9634 2.9579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6072 0.3707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3254 2.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 0.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9440 0.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8069 1.5319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8069 1.7043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9440 2.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 2.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5424 3.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3763 -2.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 -1.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8363 -0.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1009 -0.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5785 -1.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2196 -3.9911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 7 19 2 0 0 0 0 8 22 2 0 0 0 0 9 23 2 0 0 0 0 10 27 1 0 0 0 0 10 43 1 0 0 0 0 11 27 2 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 18 13 1 1 0 0 0 13 23 1 0 0 0 0 13 37 1 0 0 0 0 14 22 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 6 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 6 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$