D04MCF -OEChem-09301911252D 48 51 0 1 0 0 0 0 0999 V2000 5.4836 0.2024 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0303 3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 0.9544 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -2.4907 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4323 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0303 -0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.7624 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0303 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6527 -1.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0303 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8964 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0303 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4323 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5662 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4617 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -0.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4333 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4934 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1084 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5069 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9523 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5537 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5537 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9523 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2993 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7624 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4333 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6274 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4333 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 0.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -2.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 12 2 1 1 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 5 21 2 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 11 7 1 6 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 8 43 1 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 22 1 0 0 0 0 10 23 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M END $$$$