IBS-ZINC02130193 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -1.0510 2.2890 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 0.8410 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 0.8210 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 0.0580 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -1.4430 -0.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0140 -1.4940 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -2.1600 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 -3.0320 -0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -1.7240 1.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -2.1890 2.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4410 -2.3630 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4430 -3.4510 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -4.6860 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -6.1740 3.2520 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -7.3940 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -1.0980 3.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -0.2030 3.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -2.2050 -1.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -3.0580 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -3.2280 0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -3.7920 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -4.6340 -1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -5.3120 -2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -5.1490 -3.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -4.3090 -4.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -3.6330 -3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -2.7980 -3.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -2.6870 -4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -2.0820 -2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -1.3790 -2.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 2.8530 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 2.3250 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 2.8000 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 0.3990 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 1.2050 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -0.1910 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 1.4410 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 0.5300 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 0.1860 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -0.9830 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -3.2710 3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 -3.6490 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 -4.8300 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 -4.5860 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -7.1620 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -8.3850 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 -7.4150 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -4.7640 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 -5.9680 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -5.6780 -4.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -4.1920 -5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3490 -1.2270 3.6230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 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 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 52 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 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 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 52 -1 M END