LB4N3C -OEChem-05022321553D 20 20 0 0 0 0 0 0 0999 V2000 -2.5745 -1.3935 0.0003 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3285 1.1202 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -0.9904 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0194 -0.8079 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6079 1.0041 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 -0.5559 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 0.9551 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1852 -0.0998 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3032 -0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6802 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9852 1.1087 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -0.9816 0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1235 -0.9805 -0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 -1.9879 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 1.4163 -0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3499 1.4152 0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8153 1.2141 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0174 -1.8231 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7492 -0.2397 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4392 2.0904 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 8 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 18 1 0 0 0 0 5 9 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 M END $$$$