IBS-ZINC05025574 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5440 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 1.3980 -0.3600 -0.5460 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9650 -0.9040 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 0.8760 -0.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 1.8890 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -1.2130 -1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -1.6460 -2.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -2.4340 -3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.7880 -4.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -3.5450 -5.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -3.9650 -5.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 -3.5740 -4.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -2.8110 -3.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3510 -3.9680 -5.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 -3.5510 -4.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7890 -4.1170 -5.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9620 -3.5370 -6.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -4.8090 -6.7870 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2380 -4.2890 -7.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -6.0230 -6.6890 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5650 -3.9110 -5.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.9310 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 1.9210 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -0.3930 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -0.3930 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 2.8820 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 1.8220 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -2.0880 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -0.6250 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -1.3800 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 -4.5210 -6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 -2.4620 -4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 -3.9250 -3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6530 -3.8820 -4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 -5.1990 -5.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7460 -3.8500 -6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -3.6150 -5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -4.4630 -6.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END