D0S3YP -OEChem-10191521212D 48 50 0 1 0 0 0 0 0999 V2000 8.4947 1.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1939 -0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3969 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8133 -1.0053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8133 -2.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8519 0.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4795 1.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1223 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8215 0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1900 0.0000 C -1 0 0 0 0 0 0 0 0 0 0 0 6.7372 -0.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0809 0.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2389 -0.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0335 -0.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4041 0.3811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5972 1.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5208 2.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6473 2.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 3 16 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 19 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 29 1 0 0 0 0 7 15 2 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M ISO 1 27 11 M END $$$$