B4YJN3 -OEChem-04022107502D 48 50 0 1 0 0 0 0 0999 V2000 8.5622 6.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0622 5.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6238 5.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 4.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 5.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 5.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 4.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -4.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -5.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -6.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -6.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 23 1 0 0 0 0 6 27 1 0 0 0 0 7 27 2 0 0 0 0 8 19 1 0 0 0 0 8 27 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 2 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 26 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 22 25 2 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END $$$$