BN9O6A -OEChem-04012118012D 47 49 0 0 0 0 0 0 0999 V2000 5.5686 2.2696 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7937 3.7249 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 3.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.6115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6291 2.3160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 1.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6236 2.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 0.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0303 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 2.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 3.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 1.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 0.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2059 2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6127 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 0.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5986 1.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3769 2.8824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9592 3.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2770 0.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9410 0.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0781 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9442 0.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2293 1.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -4.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -3.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 22 1 0 0 0 0 3 11 2 0 0 0 0 4 14 2 0 0 0 0 5 23 1 0 0 0 0 5 27 1 0 0 0 0 6 25 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 17 33 1 0 0 0 0 18 24 2 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 26 2 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$