BU91PH -OEChem-04022101222D 44 46 0 0 0 0 0 0 0999 V2000 3.9595 1.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 -1.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3077 4.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 0.9719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.1058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 0.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 1.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 2.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9064 3.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 2.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 4.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 0.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 2.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 1.4883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 4.1096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1054 2.9683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -4.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -4.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3670 4.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9188 4.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2374 5.3472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 11 2 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 19 1 0 0 0 0 4 25 1 0 0 0 0 5 22 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 20 1 0 0 0 0 14 29 1 0 0 0 0 15 21 2 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 23 1 0 0 0 0 19 23 2 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$