IBS-ZINC00501204 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -1.8060 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -2.3350 -2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -3.7120 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -4.4750 -1.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -3.9420 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -2.6360 -0.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -4.8490 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -4.4290 -3.9490 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -1.4480 -3.4910 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1440 -1.0720 -3.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -1.0930 -4.4360 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -5.0580 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -4.3620 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -5.7830 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END