B3YB7F -OEChem-04022107492D 44 46 0 0 0 0 0 0 0999 V2000 4.2690 -1.6123 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -1.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -1.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 3.8530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.6123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 5.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 5.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 4.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 2.9953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -2.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -3.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 6.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 5.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 4.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9223 0.0000 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 7 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 5 27 2 0 0 0 0 6 9 1 0 0 0 0 6 44 1 0 0 0 0 7 23 1 0 0 0 0 7 35 1 0 0 0 0 8 12 1 0 0 0 0 8 26 2 0 0 0 0 9 27 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 18 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 21 1 0 0 0 0 14 24 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 27 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$