IBS-ZINC04813050 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 0.0890 1.1950 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0250 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 2.9900 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 3.4500 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 4.9610 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 5.4000 -1.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 6.7020 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 7.1000 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 6.1170 -3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 4.9220 -3.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 6.5780 -4.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 7.8920 -4.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 8.3850 -5.8220 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 8.8400 -3.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 8.5250 -2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 9.3950 -1.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 10.2500 -4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 10.7390 -3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 11.7930 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 0.1110 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 1.6300 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.5880 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 1.5120 2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -0.0510 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 1.2320 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 3.5020 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 3.2280 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 3.2120 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 2.9380 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 5.1980 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 5.4720 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 4.7550 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 7.4330 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 5.9450 -4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 10.8390 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 10.3550 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 10.2200 -3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 12.3120 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0340 12.1440 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 1.5400 1.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 40 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 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 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 M END