BI90TF -OEChem-04022110112D 43 46 0 0 0 0 0 0 0999 V2000 8.0604 1.9788 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2710 -0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 0.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6874 -1.0283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2295 0.3697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7411 0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7411 -0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6874 0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2710 -0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8751 0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0091 0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8751 -1.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0091 -0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9980 -1.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1431 0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0385 1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 1.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 1.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2247 0.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4363 1.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8751 1.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8751 -1.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4722 -1.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4087 -2.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1906 -2.5682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -1.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4993 2.1858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 -0.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 2.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 -0.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6191 2.2144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 1.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 2.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 2.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 0.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 9 2 0 0 0 0 3 21 1 0 0 0 0 3 24 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 17 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$