B1A4TP -OEChem-04022100232D 41 43 0 1 0 0 0 0 0999 V2000 4.5134 -0.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -2.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 0.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 -3.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 3.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 0.9829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 -2.2604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 2.4830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 -1.5559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2044 -1.5559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8954 -0.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -0.0171 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7922 -2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3745 -3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 -2.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9568 -3.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7757 -2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9513 -3.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7703 -1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3580 -2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 -1.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4859 -2.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 -0.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -0.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 0.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2349 -2.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 -2.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0389 -1.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 1.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 2.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 2.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7046 -4.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4113 -1.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3157 -4.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0224 -1.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9746 -2.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 32 1 0 0 0 0 3 14 2 0 0 0 0 4 16 2 0 0 0 0 5 18 2 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 7 33 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 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 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$