LJBR98 -OEChem-05032301092D 66 69 0 1 0 0 0 0 0999 V2000 3.0000 -5.5408 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5408 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.5408 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4479 2.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -1.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8517 4.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 3.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -0.2107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8006 1.7573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 5.1764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0388 0.2893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9054 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0388 -0.7107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0878 0.5984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0878 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4054 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4054 0.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4916 2.7084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5135 2.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1607 3.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 3.8674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7922 4.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 4.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 5.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3845 1.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3845 -1.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4754 0.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5508 -1.3297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3400 -1.5861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8684 -1.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7154 -1.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9423 -0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9423 0.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7154 1.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8684 0.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3858 1.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 -1.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5826 -1.2887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0980 2.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8995 2.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 2.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5424 2.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7082 3.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8168 3.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 4.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 5.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7414 5.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9523 6.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2666 4.8633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7518 5.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 -2.8087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 -1.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -4.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -2.8087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 36 1 0 0 0 0 3 36 1 0 0 0 0 4 20 2 0 0 0 0 5 21 2 0 0 0 0 6 22 1 0 0 0 0 6 29 1 0 0 0 0 7 25 1 0 0 0 0 7 61 1 0 0 0 0 8 28 2 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 11 20 1 0 0 0 0 23 11 1 1 0 0 0 11 48 1 0 0 0 0 12 28 1 0 0 0 0 12 30 1 0 0 0 0 12 62 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 6 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 6 0 0 0 16 20 1 6 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 21 22 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 26 24 1 1 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 30 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 34 2 0 0 0 0 32 64 1 0 0 0 0 33 35 2 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 M END $$$$