BKQA31 -OEChem-04012115022D 50 54 0 1 0 0 0 0 0999 V2000 2.4657 3.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -2.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -4.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -1.7962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 1.5236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9021 2.0514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7841 0.4821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9180 -0.0179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9180 -1.0179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1278 3.0620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5732 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1585 3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -1.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -1.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 2.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -2.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 -3.0871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5730 1.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5234 0.9014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -0.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 1.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8035 -0.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3552 3.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9347 1.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 2.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2607 -0.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8621 0.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7495 3.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0344 3.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8035 -0.9394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 -1.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3541 3.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5054 2.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7258 2.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 0.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5151 -0.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -1.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -2.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 -3.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4408 -3.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6628 4.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -4.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 49 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 23 3 1 1 0 0 0 3 50 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 24 1 6 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 25 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 6 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 20 1 1 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 17 21 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 48 1 0 0 0 0 M END $$$$