BUA21I -OEChem-04012118202D 46 49 0 1 0 0 0 0 0999 V2000 8.9962 3.4400 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.0600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6660 1.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8000 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 -0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 29 1 0 0 0 0 3 12 2 0 0 0 0 4 14 1 0 0 0 0 4 44 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 1 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 6 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 19 23 2 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 26 2 0 0 0 0 22 40 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$