ASINEX-ZINC04726076 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3540 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 -0.6640 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -1.6340 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 0.0110 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 -0.8630 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 1.3550 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 1.8140 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 2.0700 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 3.2860 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -0.7700 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -0.1820 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -2.1170 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -2.8730 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -4.7310 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.8950 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -2.5860 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 -2.6260 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -2.6160 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -5.2410 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -6.1760 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 M END