B4QCR3 -OEChem-04012118042D 45 47 0 0 0 0 0 0 0999 V2000 6.1669 2.0087 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 2.3177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 3.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 0.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8578 2.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4759 1.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7930 0.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 1.6997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 3.7701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1179 2.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 2.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9269 1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 2.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4269 3.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 3.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1949 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 -0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9269 0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4269 3.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 -2.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1949 -2.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9269 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9269 -2.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3289 -0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 -3.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0869 1.0932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 3.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 1.4995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 0.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7914 3.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 -2.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4639 -0.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 3.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 3.1963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 2.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4639 -2.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6389 -0.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7919 -0.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0189 -1.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4409 -3.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 -4.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6809 -3.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 7 18 2 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 15 2 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 14 29 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 16 26 1 0 0 0 0 17 23 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 21 27 1 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$