BKFN78 -OEChem-04022106133D 43 45 0 0 0 0 0 0 0999 V2000 -3.4421 1.5884 0.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8102 2.3952 0.0414 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 0.5007 -1.2698 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 0.3381 -1.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.5275 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6366 1.5455 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 1.5318 -0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1046 1.5731 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2514 0.9796 -1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 2.1253 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 0.9934 -0.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2166 2.1392 1.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1524 0.4209 0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2758 0.0482 0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -1.9074 -0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5825 -1.9314 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 -0.8004 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3764 0.4660 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3585 -1.9766 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0914 -0.7101 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9473 -0.7560 1.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4004 -2.7116 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0096 -2.1358 1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3474 -3.1885 -0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4211 1.3232 -1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -0.1039 -2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9214 -0.2278 -1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0784 0.5506 -2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8295 2.5675 1.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2932 0.5722 -1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 2.5912 2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2389 1.1217 0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2569 -2.3680 -1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7035 -0.8617 1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7773 1.4147 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9549 -2.9213 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0446 -0.6619 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4223 -0.3077 2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4486 -3.7861 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5324 -2.7620 1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6749 -4.0470 -0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9291 -3.1249 -1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0322 -3.3776 0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 14 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 21 1 0 0 0 0 14 32 1 0 0 0 0 15 22 2 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$