B2ANE1 -OEChem-04022105122D 57 61 0 1 0 0 0 0 0999 V2000 5.5422 -4.1462 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4926 -0.9138 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8586 0.4523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 -1.2798 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 3.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4865 0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -2.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 -3.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 -1.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9029 -0.2185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9029 1.3910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 3.1462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9567 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9567 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4865 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 -1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 2.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5457 -1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1598 2.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1598 3.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5672 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0258 2.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8564 -2.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3586 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0258 4.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 -2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8918 3.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8918 2.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1885 -3.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 -3.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7579 4.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -2.9895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5637 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2745 -2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 -1.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7605 -0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 -1.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 2.2062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6877 1.3962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3746 -1.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4631 -2.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0258 1.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0258 4.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4288 2.3362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 -4.1975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0679 3.6093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2948 4.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4479 4.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -2.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9744 -4.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7563 -4.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -3.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 15 2 0 0 0 0 7 30 1 0 0 0 0 36 7 1 6 0 0 0 8 38 1 0 0 0 0 8 57 1 0 0 0 0 9 38 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 18 41 1 0 0 0 0 19 23 2 0 0 0 0 19 42 1 0 0 0 0 20 25 2 0 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 43 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 44 1 0 0 0 0 26 32 2 0 0 0 0 26 46 1 0 0 0 0 27 33 2 0 0 0 0 27 45 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 34 2 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 32 48 1 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 35 50 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 53 1 0 0 0 0 37 54 1 0 0 0 0 37 55 1 0 0 0 0 37 56 1 0 0 0 0 M END $$$$