L87FUM -OEChem-05022322412D 41 43 0 0 0 0 0 0 0999 V2000 11.7246 -0.5388 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2788 1.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3479 -1.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0704 1.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 -0.9897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 0.3193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 -0.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3479 0.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2614 0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9840 0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0885 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7930 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0020 -0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7065 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8111 -0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 -1.6573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 -1.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 0.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 1.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -1.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -1.6573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 1.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 0.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3962 -1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6946 1.4211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 1.3378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9147 -0.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7074 0.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5869 -0.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7282 1.8858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0668 -1.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2081 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 33 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$