D0G1RT -OEChem-10111523282D 50 53 0 0 0 0 0 0 0999 V2000 2.9945 2.3815 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8128 0.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 3.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 1.3869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -2.7867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0038 -1.3887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0615 0.9300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8347 0.2205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5155 -1.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5155 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7723 -0.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6494 -0.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0453 -1.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7834 -1.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6494 -2.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7508 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7834 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 -0.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3402 -0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3347 -0.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 1.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 -0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 1.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7518 0.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1585 -0.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6494 -0.3619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6653 -1.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6543 -3.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6494 -3.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7714 -0.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3647 -0.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -2.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7829 -1.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 -1.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7757 1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5057 -0.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6682 1.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6474 1.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8235 2.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5535 0.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 3.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 2.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 1.6603 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 29 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 34 1 0 0 0 0 6 20 2 0 0 0 0 6 23 1 0 0 0 0 7 18 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 23 2 0 0 0 0 9 24 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$