IBS-ZINC04819834 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.5790 1.4280 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -0.0440 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -0.7450 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.0950 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -2.7610 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -2.0610 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.6990 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.0040 -2.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -0.4860 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 0.1990 -4.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -0.3140 -5.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 0.3330 -7.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 1.4890 -7.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 2.0060 -6.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 1.3730 -4.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.2100 -8.1930 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6540 -1.2270 -8.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 0.3590 -9.2680 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6420 -4.2060 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -4.9230 -1.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -6.2030 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -6.2330 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -4.9750 1.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -7.4290 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -8.5560 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -8.4580 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -7.3130 -1.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 2.0000 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 1.6960 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 1.6540 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -0.2350 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -2.6370 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -2.5710 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -1.3870 -3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -1.2150 -5.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 1.9890 -8.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 2.9080 -6.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -7.4800 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -9.5040 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -9.3380 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 1.8840 -3.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 1.5500 -3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 2 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END