B2YOD0 -OEChem-04012117232D 44 47 0 0 0 0 0 0 0999 V2000 8.9962 -0.9778 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 4.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 4.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 -4.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8241 -4.0022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.5222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7894 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 -1.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8009 -2.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 -2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9523 -3.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.6893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3227 -0.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -0.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -0.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 -2.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5357 -2.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 0.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 4.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0993 -4.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 14 1 0 0 0 0 2 40 1 0 0 0 0 3 21 1 0 0 0 0 3 43 1 0 0 0 0 4 21 2 0 0 0 0 5 30 1 0 0 0 0 5 44 1 0 0 0 0 6 30 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 34 1 0 0 0 0 20 25 2 0 0 0 0 20 35 1 0 0 0 0 22 27 1 0 0 0 0 22 36 1 0 0 0 0 23 28 2 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 41 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$