IFLAB-ZINC04850938 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.1540 1.4580 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 0.0280 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -0.9140 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -2.2530 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -2.6850 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -1.7350 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -0.3950 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -4.1450 -0.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0020 -4.7360 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -4.7200 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -6.1730 -0.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -7.0660 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -6.7490 -2.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -8.5270 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -8.7750 -0.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -9.3700 -2.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -10.7720 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -11.5270 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -12.9200 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -13.5600 -2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -12.8180 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -11.4270 -3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -15.0170 -2.5350 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2250 -15.6370 -1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -15.5470 -3.4860 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2640 -3.5870 -3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -4.1480 -4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -5.0450 -3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -4.5130 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -4.7760 -5.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 1.5970 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 2.1310 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 1.7500 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -0.6100 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -2.9530 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -2.0100 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 0.3190 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -4.4260 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -4.3270 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -6.5750 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -8.9150 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 -11.0620 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -13.4810 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -13.2980 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -10.8650 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -3.6070 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -2.5660 -3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -3.4840 -5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -5.1340 -4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -6.0920 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -5.0340 -3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -3.5050 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -5.1890 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -5.7940 -5.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -4.1410 -6.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 -4.7910 -5.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -4.4480 -2.0780 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1600 -5.4210 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -4.2340 -4.4540 N 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 57 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 57 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 59 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 57 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 59 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 57 1 M END