IBS-ZINC03882694 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.5700 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -2.0740 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -2.8600 -1.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.1160 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -4.0200 -0.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -2.8560 -0.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -5.3690 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -5.3180 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -6.4850 -2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -7.7060 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -7.7620 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -6.6000 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -9.0700 -1.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7850 -9.1200 -0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -10.0970 -1.2600 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8830 -9.1720 -2.4680 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.2510 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -0.2340 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -4.3660 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -6.4470 -3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -6.6450 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 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 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END