IBS-ZINC02288767 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.2010 -0.6880 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0140 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 1.4170 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.0960 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 1.8200 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 0.7610 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -0.3540 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 0.7850 -0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 -0.3920 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 -0.3550 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3600 0.4970 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5980 -1.5080 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8180 -1.4940 -0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 -2.7270 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5320 -2.7020 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 -1.5380 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -3.9930 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 -4.2910 1.5880 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 -5.8170 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 -6.3820 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -7.5780 2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -8.2140 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 -7.6540 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -6.4550 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -9.7170 0.9070 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -1.7680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.1750 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 1.6330 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4270 -3.6670 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 -3.9270 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -4.8150 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -5.8870 3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -8.0180 3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -8.1520 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -6.0160 -0.6820 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 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 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M END