B3FYQ4 -OEChem-04022109482D 46 49 0 1 0 0 0 0 0999 V2000 2.9778 3.6734 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8923 -0.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 -1.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2420 0.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1963 1.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3557 -4.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5594 3.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1874 4.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7682 2.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7516 -2.6511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1680 -3.4559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3557 -1.6511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4897 -3.1511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4302 -0.5885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4787 -0.8959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4320 0.4115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4815 0.7221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1680 -1.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1741 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2218 -2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2218 -3.1511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3557 -3.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8889 2.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4897 -2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9112 3.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 2.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6038 3.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9556 3.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2629 2.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 4.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3322 -1.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6389 -1.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9839 0.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8693 0.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7882 1.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1968 2.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2874 -3.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8051 -0.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1783 1.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3606 -4.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9528 -1.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4313 1.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0194 4.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8473 2.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4354 4.7957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 29 1 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 15 4 1 1 0 0 0 4 39 1 0 0 0 0 17 5 1 1 0 0 0 5 40 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 23 2 0 0 0 0 8 24 2 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 22 1 0 0 0 0 12 41 1 0 0 0 0 13 21 2 0 0 0 0 13 25 1 0 0 0 0 14 23 1 0 0 0 0 14 25 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 1 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 6 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 27 43 1 0 0 0 0 28 31 2 0 0 0 0 28 44 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 M END $$$$