IBS-ZINC04889415 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2030 -0.6870 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 2.1680 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 1.5340 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 2.2510 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 2.6690 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7590 3.2980 0.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 3.3080 -0.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6910 2.6740 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 2.4210 -2.8260 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3560 2.4430 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 3.7930 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 3.5640 4.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 2.7670 5.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1120 1.4170 4.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 1.6460 3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -0.6580 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -1.7670 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 3.2480 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 3.5790 -3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 1.8860 2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 4.3500 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 4.3610 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 4.5260 5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 3.0070 4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8840 3.3240 5.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6940 2.6040 6.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9060 0.8490 5.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 0.8600 4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5860 0.6840 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4060 2.2030 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -0.8480 -0.9220 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END