B3WQ5Y -OEChem-04012114302D 55 56 0 0 0 0 0 0 0999 V2000 8.0622 -3.8666 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0868 2.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2679 1.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 0.6280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6856 1.7494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0813 2.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 0.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0759 2.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9768 3.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1859 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -1.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6801 1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.2839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -2.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -2.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1407 2.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6925 3.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0111 3.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5934 3.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 4.4832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3602 3.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5693 1.8127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2507 1.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8025 1.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7112 -1.8803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4465 -2.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9241 -1.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3211 2.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 8 1 0 0 0 0 3 26 1 0 0 0 0 4 26 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 15 2 0 0 0 0 7 15 1 0 0 0 0 7 26 1 0 0 0 0 7 54 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 23 1 0 0 0 0 14 19 2 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 25 2 0 0 0 0 22 49 1 0 0 0 0 23 27 2 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 27 1 0 0 0 0 27 55 1 0 0 0 0 M END $$$$