B7YDH5 -OEChem-04022103172D 45 47 0 0 0 0 0 0 0999 V2000 10.6603 0.1130 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 0.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1603 0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 -0.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7882 1.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 1.9177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7882 1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 1.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3972 2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5070 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 9 1 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 2 23 1 0 0 0 0 5 20 2 0 0 0 0 6 23 2 0 0 0 0 7 26 1 0 0 0 0 7 44 1 0 0 0 0 8 28 1 0 0 0 0 8 45 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 39 1 0 0 0 0 11 17 1 0 0 0 0 11 23 1 0 0 0 0 11 40 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 20 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$