NCID-ZINC05385835 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 3.1990 -3.2520 3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -2.9720 2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -1.9920 1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -1.2960 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -1.5620 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 -2.5440 3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -0.3080 0.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 0.3500 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 1.8850 -0.4810 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 -0.2660 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 -1.6510 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 -2.4440 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -1.9570 -1.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 -3.7850 -1.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -4.3490 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -4.3450 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -3.6500 -0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0440 -2.3060 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0540 -1.6000 0.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 -0.1940 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 0.5130 0.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8160 1.5100 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 0.6740 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 1.4140 -2.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3850 1.7040 -3.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5270 2.4090 -4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 2.7180 -5.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1450 2.3080 -6.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0200 1.6220 -5.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6370 1.3230 -4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5260 2.6220 -7.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1600 3.6740 -8.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2620 1.6470 -8.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8870 1.7520 -9.5240 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2940 2.4330 -10.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3440 2.2310 -9.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4820 3.6550 -8.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9140 4.1930 -8.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8460 3.3530 -8.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 0.3410 -10.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 -0.6210 -9.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 -5.6770 -0.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -4.0130 4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -3.5160 3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -1.7950 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4230 -0.9980 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 -2.7470 4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 0.0010 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8660 -2.1550 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5890 -0.0950 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9790 0.2530 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 1.2100 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -0.3070 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0330 1.7240 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 2.7220 -4.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 3.2640 -6.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0100 1.3260 -5.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 0.7840 -3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4060 0.7290 -7.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9090 1.5450 -8.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8210 2.1840 -10.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8930 4.3380 -9.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0820 3.7090 -7.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7350 -6.2580 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2990 -6.1120 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9920 5.4410 -8.5970 O 0 5 0 0 0 0 0 0 0 0 0 0 10.0360 0.3200 -11.4450 O 0 5 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 43 1 0 0 0 0 2 3 2 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 45 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 46 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 48 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 40 1 0 0 0 0 36 37 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 38 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 38 39 2 0 0 0 0 38 66 1 0 0 0 0 40 41 2 0 0 0 0 40 67 1 0 0 0 0 42 64 1 0 0 0 0 42 65 1 0 0 0 0 M CHG 1 66 -1 M CHG 1 67 -1 M END