B4VWR9 -OEChem-04022107382D 43 45 0 0 0 0 0 0 0999 V2000 8.9282 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 3 11 1 0 0 0 0 3 19 1 0 0 0 0 4 17 1 0 0 0 0 4 27 1 0 0 0 0 5 14 2 0 0 0 0 6 19 2 0 0 0 0 7 22 1 0 0 0 0 7 23 2 0 0 0 0 8 22 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$