BLJ8A7 -OEChem-04022106402D 49 53 0 1 0 0 0 0 0999 V2000 6.2002 -2.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5579 1.2807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8236 -0.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7986 -2.2836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8898 -0.2941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3898 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2949 0.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 -0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3898 -1.1602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6948 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8236 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7986 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5804 -0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5804 -1.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4744 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4744 -2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3804 -0.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3804 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9767 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2880 1.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1992 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5106 2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4661 2.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 -0.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8072 -1.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4974 -1.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8314 0.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6603 1.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0599 -0.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6248 1.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2846 -1.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 1.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7448 -0.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 0.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9365 -2.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4672 0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4672 -2.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9162 -0.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9162 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4312 0.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6956 1.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7916 2.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0561 3.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6041 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 35 1 0 0 0 0 3 9 1 0 0 0 0 3 14 2 0 0 0 0 4 12 1 0 0 0 0 4 18 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 29 1 0 0 0 0 6 9 1 0 0 0 0 6 30 1 0 0 0 0 6 31 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 11 2 0 0 0 0 9 12 1 0 0 0 0 9 34 1 0 0 0 0 10 13 2 0 0 0 0 11 15 1 0 0 0 0 11 36 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$