BGRP86 -OEChem-04022100342D 49 52 0 0 0 0 0 0 0999 V2000 5.8965 3.9038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 5.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 5.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 2.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9184 4.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 3.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5116 5.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9586 1.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 2.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 1.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8018 3.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -6.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 6.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 30 1 0 0 0 0 2 19 1 0 0 0 0 2 46 1 0 0 0 0 3 16 2 0 0 0 0 4 25 1 0 0 0 0 4 47 1 0 0 0 0 5 29 1 0 0 0 0 5 48 1 0 0 0 0 6 32 1 0 0 0 0 6 49 1 0 0 0 0 7 32 2 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 20 2 0 0 0 0 11 21 2 0 0 0 0 12 19 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 33 1 0 0 0 0 15 24 2 0 0 0 0 17 23 2 0 0 0 0 17 35 1 0 0 0 0 18 23 1 0 0 0 0 18 36 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 37 1 0 0 0 0 21 27 1 0 0 0 0 21 38 1 0 0 0 0 22 28 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 31 1 0 0 0 0 24 41 1 0 0 0 0 25 29 2 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 45 1 0 0 0 0 M END $$$$