BM6KR8 -OEChem-04022101132D 42 44 0 1 0 0 0 0 0999 V2000 6.3479 -0.7939 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2433 2.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 -1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 0.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2614 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 -0.2061 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0000 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 0.7939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5878 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3479 1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1569 -1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0524 -2.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0704 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0524 2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 -2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8794 -1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7749 -2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 1.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 1.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0913 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 -0.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 -1.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -0.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -1.1827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 1.7705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 1.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 -2.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1352 -0.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4168 2.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5539 3.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6879 3.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7966 -3.5806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 -1.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2765 -2.9217 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 17 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 20 1 0 0 0 0 7 15 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 15 1 1 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 16 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 19 22 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$