LIJ21E -OEChem-05022321242D 40 42 0 0 0 0 0 0 0999 V2000 5.6859 -2.2868 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8768 -2.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4949 -1.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.4777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.4777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.5336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 0.0370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2736 -3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 -0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.7157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 -0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7721 -3.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6381 -3.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7752 -2.7313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 1.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9985 2.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 22 1 0 0 0 0 2 13 1 0 0 0 0 2 24 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 20 2 0 0 0 0 7 23 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 23 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 17 1 0 0 0 0 14 19 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 21 2 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$