B5BOZ2 -OEChem-04012119002D 57 60 0 0 0 0 0 0 0999 V2000 2.0000 0.5939 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 12.7569 -1.3244 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4393 -0.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2569 -2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2569 -0.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3550 1.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0870 -1.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 1.0120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4781 1.8780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 0.6756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6229 -1.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3550 -1.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2210 -0.3244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4562 1.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6472 0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1994 2.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 1.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4890 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4890 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3550 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2210 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2210 1.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9531 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2259 2.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6142 1.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 2.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7845 2.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 -0.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 -0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 2.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4278 0.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 -1.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 1.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6219 -1.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6229 -2.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 -0.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 2.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9520 -0.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5310 1.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7580 1.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9110 2.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2631 -1.8614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4900 -1.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6431 -0.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 11 1 0 0 0 0 2 20 1 0 0 0 0 3 16 2 0 0 0 0 6 33 1 0 0 0 0 6 35 1 0 0 0 0 7 34 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 9 37 1 0 0 0 0 10 19 2 0 0 0 0 10 21 1 0 0 0 0 11 31 1 0 0 0 0 11 48 1 0 0 0 0 12 31 1 0 0 0 0 12 34 2 0 0 0 0 13 33 2 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 22 42 1 0 0 0 0 23 29 2 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 36 55 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 M END $$$$