IBS-ZINC04816199 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3720 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 1.2060 -0.7000 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.0090 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.3760 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 2.0790 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 3.5500 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 4.1580 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 4.3020 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 5.8070 0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7970 6.0630 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 6.1830 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 5.3340 2.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 6.5380 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 7.4120 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 7.8530 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 7.2640 0.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 6.4700 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -0.7030 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -2.1620 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 -2.8020 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -2.2050 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5500 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 1.9160 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 4.0440 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 4.0320 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 7.6940 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 8.5570 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 5.8620 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -0.6640 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -0.1940 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -2.6900 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -2.2100 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -2.5920 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -3.8800 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -2.5500 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -2.5350 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 7.4600 1.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 7.6530 2.3870 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 39 40 1 0 0 0 0 M END