BN1GJ3 -OEChem-04012114592D 48 50 0 1 0 0 0 0 0999 V2000 4.5981 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 12 18 1 0 0 0 0 12 30 1 0 0 0 0 13 19 2 0 0 0 0 13 21 1 0 0 0 0 14 20 2 0 0 0 0 14 22 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 23 1 0 0 0 0 19 39 1 0 0 0 0 20 24 1 0 0 0 0 20 40 1 0 0 0 0 21 25 2 0 0 0 0 21 41 1 0 0 0 0 22 26 2 0 0 0 0 22 42 1 0 0 0 0 23 27 2 0 0 0 0 23 43 1 0 0 0 0 24 28 2 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$