BNL39O -OEChem-04022107443D 27 29 0 0 0 0 0 0 0999 V2000 -5.0143 0.6696 -0.6385 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4619 0.8192 -2.1834 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.9605 -0.5562 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5367 -1.9613 -0.8897 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 -0.1959 -0.6577 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2033 1.8690 0.3586 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 2.0593 1.0174 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8265 0.5310 -1.0180 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7786 -0.7883 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8778 0.0209 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 -0.6199 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9481 -0.7372 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -0.1302 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 1.3250 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9755 -0.9469 1.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8645 0.0325 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3021 -0.7841 2.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2466 -0.2943 1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2056 1.0923 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6946 -2.8034 -0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2195 0.1196 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2513 -1.3291 2.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5991 -1.0386 3.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 -0.1805 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 1.5872 -0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 1.6779 1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 3.0071 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 5 19 2 0 0 0 0 6 14 2 0 0 0 0 6 19 1 0 0 0 0 7 14 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 15 17 2 0 0 0 0 15 22 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 M CHG 2 1 -1 8 1 M END $$$$