B28IQW -OEChem-04042104133D 51 54 0 1 0 0 0 0 0999 V2000 -2.5384 -1.9274 -0.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 2.5551 -0.8348 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7453 1.0286 0.8864 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -1.8224 0.2000 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.5887 -0.0365 0.1639 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0177 -2.9000 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6007 -0.7817 -0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2279 -2.3697 1.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9598 -0.2912 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 -1.0738 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 -2.3467 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 0.9230 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0255 -0.6140 0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3555 -1.3875 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7264 1.3678 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 0.6014 0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6887 -1.1986 -0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 3.2777 -1.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8445 0.6317 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 -1.6802 -1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7025 0.7009 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9508 0.2924 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0101 -0.9183 -0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 1.9036 1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0932 1.0870 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7799 2.6938 1.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0061 2.2852 0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5813 -3.7212 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3359 -3.3184 -0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9293 0.0837 -0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7006 -1.1509 -1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0173 -3.1307 1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9456 -2.2002 2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 -3.2981 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -2.5781 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8086 1.4731 -1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6376 -1.2062 1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1585 -0.4113 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4891 -1.2601 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8523 4.1947 -1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4034 3.5856 -1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1328 2.7230 -2.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 1.0558 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7237 1.0113 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 -0.4589 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8987 -2.6183 -1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9504 -1.2741 -1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6952 2.2457 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0580 0.7763 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7027 3.6274 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8909 2.8965 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 17 2 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 17 20 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 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 23 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END $$$$