B2ADU7 -OEChem-04012114322D 53 57 0 0 0 0 0 0 0999 V2000 5.2730 -1.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 1.5057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.2010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3798 2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1719 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2778 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1799 2.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 1.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 2.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 2.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 1.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 0.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 3.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 3.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 2.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 2.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 3.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 3.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 0.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 0.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -0.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 -0.4067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3400 0.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8393 3.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7052 1.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2754 3.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7180 3.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 -1.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -1.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 -3.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -3.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -3.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 14 2 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 29 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 42 1 0 0 0 0 17 20 2 0 0 0 0 18 21 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 22 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 27 2 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 M END $$$$