B5FV1G -OEChem-04022102172D 43 46 0 0 0 0 0 0 0999 V2000 8.7813 -0.7604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2780 0.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2847 -1.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3115 -1.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0435 1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9172 -1.2637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3115 1.2637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 0.2196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1775 -0.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -0.9870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6454 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4454 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4454 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5515 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0493 -0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6454 0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5515 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0454 0.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1852 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 0.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3173 -0.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3115 -0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1775 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 -0.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5587 -1.3909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9196 -1.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1097 1.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8422 1.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 1.1963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5587 1.9184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5812 0.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1876 -1.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1751 1.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7815 -1.0858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3115 1.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7144 -0.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 1.2287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -1.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3832 -0.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 4 24 2 0 0 0 0 5 25 2 0 0 0 0 6 15 1 0 0 0 0 6 30 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 7 39 1 0 0 0 0 8 18 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 40 1 0 0 0 0 10 27 2 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 19 1 0 0 0 0 14 29 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 26 28 2 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END $$$$