BJ2R4D -OEChem-04042104363D 40 42 0 1 0 0 0 0 0999 V2000 3.1135 -2.0981 -0.0594 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1748 0.3689 -0.1838 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 -1.9028 -0.2562 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5337 1.3655 -0.7552 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3056 0.7789 -0.3345 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 3.2556 0.9277 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1949 3.8092 0.4783 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 0.1037 -1.4265 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0623 -0.9867 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 0.3352 -2.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3001 1.6824 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6604 -0.6955 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6952 -2.2977 -0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8787 1.1356 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 2.8990 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9438 0.1838 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8912 -1.7155 1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 -3.3176 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0621 2.3520 0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5239 -3.0266 1.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 0.4600 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 -1.1682 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0899 -0.6915 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5067 -0.8295 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9482 -0.1620 -2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3302 1.9084 -0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7374 1.1333 -3.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1977 -0.5748 -2.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8926 0.6257 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 0.3093 1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2293 -2.5384 -1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 -1.4900 2.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6401 -4.3385 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 2.6574 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7044 -3.8210 2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 1.4533 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 -1.6747 0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 3.8317 -0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 4.6832 0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1450 0.2416 -0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 2 40 1 0 0 0 0 3 24 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 26 1 0 0 0 0 5 11 2 0 0 0 0 5 14 1 0 0 0 0 6 15 2 0 0 0 0 6 19 1 0 0 0 0 7 15 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 18 2 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 16 21 1 0 0 0 0 16 22 2 0 0 0 0 17 20 2 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 M END $$$$