FDA-ZINC08101059 MOE2007 3D CORINA 3.40 0006 02.08.2006 83 85 0 0 1 0 0 0 0 0999 V2000 -0.4060 1.4000 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -0.1280 0.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0570 -0.4410 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -0.6880 1.1820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2030 -0.3750 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -0.1580 0.9400 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3010 -0.4700 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.3700 1.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9600 1.7480 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 1.9300 -0.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3500 1.6170 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 3.3930 0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 4.1210 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 3.5640 -2.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 5.6260 -0.9900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0220 5.9460 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 6.1300 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 7.6470 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 6.1620 -2.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 1.7800 2.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 1.9310 3.2680 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1800 1.0390 3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 2.1250 4.6620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3820 1.2370 4.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.3460 5.6720 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7100 1.4580 5.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 3.5490 5.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7560 3.6800 5.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 3.3010 3.8140 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0970 2.4270 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 3.0720 2.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 4.5230 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8240 4.2470 2.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 4.7260 5.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 3.2620 4.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -0.6800 1.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -2.1150 1.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -2.7600 2.3840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4100 -2.3180 2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -4.2530 2.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8580 -4.3840 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -4.9480 3.5520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6990 -4.5480 4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -4.6920 4.2460 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4370 -5.1370 5.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -3.1820 4.3630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1070 -2.7460 4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -2.5930 3.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -2.9180 5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -5.2750 3.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -6.3540 3.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -4.8230 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 1.7990 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 1.7120 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 3.8380 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 5.6520 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 5.8880 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 8.1250 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 7.8900 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 7.8620 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 5.9180 -2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 5.3770 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 4.7520 4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 4.9800 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 5.5280 4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 1.8280 7.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 3.1920 4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -1.6380 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -3.3540 4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -3.3680 5.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -1.0190 4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -6.2310 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -6.5880 2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -4.4260 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.2810 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 8.1320 -0.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 9.1310 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 2.6060 7.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 2.8180 7.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -1.4690 5.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -1.2680 5.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -0.6370 0.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -1.6460 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 82 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 55 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 18 76 1 0 0 0 0 19 61 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 78 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 34 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 48 1 0 0 0 0 40 41 1 0 0 0 0 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