NCID-ZINC04962288 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2160 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.5660 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0820 4.1580 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 4.1920 0.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7020 -0.6810 -0.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7460 -0.0520 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -1.8980 -0.0430 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2440 -2.4420 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -2.8790 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -4.4020 -0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1200 -4.8160 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -4.7650 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 -5.4180 0.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 -4.3650 -1.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -4.7170 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 -4.1530 -2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -3.5210 -3.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -4.9510 1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -6.2220 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -6.9120 0.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -6.7860 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -8.2360 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -8.8090 3.6170 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1610 -8.6940 4.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -10.2720 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -10.6250 3.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 1.9730 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -2.4730 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -2.4640 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -3.8420 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 -5.8020 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -4.3030 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -4.3990 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -6.1950 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -6.7520 3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -8.8270 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -8.2700 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -8.1800 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 -4.3530 -2.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -11.1820 3.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 -8.0890 3.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -7.1180 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -12.1080 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 -3.9710 -3.7260 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 34 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 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 48 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 45 48 1 0 0 0 0 46 51 1 0 0 0 0 47 50 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END