OTAVA-ZINC05555515 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 0.0390 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4360 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 3.8550 0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 4.2890 -0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 4.2300 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 4.3370 1.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -0.6710 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -1.8860 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -2.0390 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 2.0000 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 3.6750 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 5.2820 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.4280 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 0.0270 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6790 -0.4830 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 13 19 1 0 0 0 0 20 21 1 0 0 0 0 M END