NCID-ZINC04430814 MOE2007 3D CORINA 3.40 0006 02.08.2006 83 88 0 0 1 0 0 0 0 0999 V2000 -0.6110 2.4820 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 0.9560 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 0.3440 1.5640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2200 -0.6880 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 0.3800 1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 0.1910 -0.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4430 -0.6690 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 0.2020 -1.0330 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 1.5400 -0.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0230 2.2980 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 1.5570 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 2.3630 2.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 2.6980 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 3.5660 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3310 3.5490 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0700 2.8150 -0.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8880 4.4410 1.2890 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2870 4.0710 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 4.5320 3.8980 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5110 3.9600 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 4.3660 3.8990 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6740 3.3120 4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0320 5.1730 5.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 6.6300 4.9190 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5050 6.6910 5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9300 7.1410 3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1800 6.3200 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 4.8400 2.6120 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3860 4.2390 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9990 3.6310 0.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4270 4.3420 2.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5120 6.8720 1.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 8.5490 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1280 8.9990 2.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8580 9.4520 4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9710 8.9350 5.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8310 9.7720 6.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5950 11.1240 6.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4950 11.6490 5.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 10.8200 4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5260 11.3310 3.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2840 7.4780 5.9790 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7950 7.2550 5.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8290 7.0820 7.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 6.6270 2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 6.1130 4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 3.4000 2.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 1.1470 2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 1.5570 3.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 0.5050 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 2.7710 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 2.8770 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 2.8840 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 3.2090 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 2.4640 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 4.1520 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6720 4.7700 6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 5.1190 5.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9280 4.5940 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3440 6.5840 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9050 9.3720 7.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4880 11.7730 7.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 12.7060 5.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6270 11.3320 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1450 7.5470 4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2980 7.8590 6.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0180 6.2020 6.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2310 7.5780 8.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 6.2100 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 6.4790 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 7.6940 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 5.7390 5.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 5.5510 4.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 7.1680 5.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 5.4840 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 0.8900 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -0.5840 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 0.8880 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 1.4540 -0.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 1.2280 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6110 5.9530 4.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 1.4060 3.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 1.9250 4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 48 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 79 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 13 79 1 0 0 0 0 14 15 1 0 0 0 0 14 56 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 75 1 0 0 0 0 18 19 1 0 0 0 0 18 47 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 81 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 40 2 0 0 0 0 36 37 2 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 39 2 0 0 0 0 38 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