B8WDF1 -OEChem-04012118082D 42 44 0 1 0 0 0 0 0999 V2000 2.5313 -2.2966 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -5.2966 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 0.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.6874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 2.0694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 -0.7088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -0.7088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 3.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 4.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 4.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 5.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.9648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9945 2.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 1.0513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1810 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -3.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -3.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -4.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 3.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9994 3.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4864 5.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3997 4.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0904 4.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6755 5.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8804 5.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0688 5.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 1.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 0.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1162 1.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 0.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2459 0.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 2.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 1.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -2.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 -4.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -4.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 24 1 0 0 0 0 3 14 2 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 13 6 1 1 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 18 2 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 18 19 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 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$