B6RE9N -OEChem-04012112372D 47 48 0 0 0 0 0 0 0999 V2000 4.2690 -0.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 3.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 4.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 5.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 6.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 6.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 5.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 5 14 2 0 0 0 0 6 22 1 0 0 0 0 6 46 1 0 0 0 0 7 28 1 0 0 0 0 7 47 1 0 0 0 0 8 28 2 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 11 27 2 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 17 21 2 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 24 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$