IFLAB-ZINC05258505 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 0 0 0 0 0999 V2000 0.5280 0.8620 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -0.4870 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.9040 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 0.0520 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 1.4030 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 1.8150 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 3.1850 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 3.8140 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 3.3090 -1.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 5.3060 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 5.8010 -0.3480 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2140 5.3970 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 7.3490 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 7.8300 -1.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 5.3510 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 5.3840 -2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 5.5160 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 -0.3240 1.7300 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7780 0.0520 1.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -0.9510 2.7460 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4060 -2.5660 0.0160 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 1.1340 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -1.2020 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 2.1170 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 3.7650 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 5.5500 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 5.8010 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 6.2330 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 4.4440 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 6.2310 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 4.4740 -3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5700 4.6420 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 6.4220 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 7.8750 0.7440 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4720 5.3630 -1.5920 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2280 6.1480 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 4.4570 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7290 5.6220 -4.0080 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7510 5.7350 -3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5450 4.7850 -4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 6.4350 -4.5270 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 21 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 34 -1 M CHG 1 35 1 M CHG 1 38 1 M END