IBS-ZINC02276230 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.6990 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0790 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0660 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.2550 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -4.9870 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -6.7000 0.4260 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -6.4120 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -5.0680 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -4.5120 -1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -4.2670 -2.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -7.4030 -1.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -8.7000 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -9.0000 -0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -9.7590 -1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -11.1030 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -12.0870 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 -11.7440 -2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -10.4120 -3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -9.4180 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 -9.9920 -4.2520 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1610 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6210 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.5980 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1380 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -4.5800 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -7.1640 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -11.3730 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -13.1270 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -12.5180 -3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -8.3800 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -4.2700 -1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -3.9020 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 37 1 0 0 0 0 38 39 1 0 0 0 0 M END