B1PQC0 -OEChem-04012116232D 56 60 0 0 0 0 0 0 0999 V2000 8.7535 -4.3080 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3686 -3.1865 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 1.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -2.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.8080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.8080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.6920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 4.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 3.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 3.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1776 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8468 -2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3468 -3.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9928 4.7829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1957 4.7829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5161 4.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1176 3.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0708 3.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6723 4.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6723 2.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0708 2.9156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 -0.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 -0.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 2.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -1.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 1.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -0.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3066 -1.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4634 -2.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 1.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 30 1 0 0 0 0 2 33 1 0 0 0 0 3 14 2 0 0 0 0 4 20 2 0 0 0 0 5 28 1 0 0 0 0 5 34 1 0 0 0 0 6 27 2 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 29 2 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 M END $$$$