BE2IL1 -OEChem-04012117272D 52 55 0 0 0 0 0 0 0999 V2000 9.4081 1.1744 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8680 4.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2856 3.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 2.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7901 1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 2.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6869 2.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2802 3.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2004 0.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7347 2.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1176 2.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2009 3.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6158 5.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 15 2 0 0 0 0 3 30 1 0 0 0 0 3 49 1 0 0 0 0 4 31 1 0 0 0 0 4 50 1 0 0 0 0 5 32 1 0 0 0 0 5 51 1 0 0 0 0 6 33 1 0 0 0 0 6 52 1 0 0 0 0 7 33 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 16 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 17 2 0 0 0 0 11 15 1 0 0 0 0 11 19 2 0 0 0 0 12 20 2 0 0 0 0 13 21 2 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 16 25 1 0 0 0 0 16 35 1 0 0 0 0 17 26 1 0 0 0 0 17 36 1 0 0 0 0 18 24 2 0 0 0 0 18 29 1 0 0 0 0 19 27 1 0 0 0 0 19 37 1 0 0 0 0 20 28 1 0 0 0 0 20 38 1 0 0 0 0 21 24 1 0 0 0 0 21 39 1 0 0 0 0 22 31 1 0 0 0 0 22 40 1 0 0 0 0 23 30 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 33 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 M END $$$$