IFLAB-ZINC04315306 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 0.3750 2.0630 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 0.6200 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -0.1950 -1.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -1.5430 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -2.2910 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -3.6840 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -4.3510 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -3.5970 -2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -2.2030 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -5.7530 -1.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -6.6770 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -6.4610 0.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -8.1220 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -9.2430 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -10.0930 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -11.4480 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -11.2870 1.1450 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3010 -10.7920 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -10.4120 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -12.6160 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -13.4180 2.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -13.2150 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -14.5490 2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -15.6800 3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -16.6590 2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -16.5050 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -15.3620 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -14.3700 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -13.1710 0.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 2.1820 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 2.3690 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 2.7330 -2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 0.3350 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 0.5260 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -1.7850 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -4.2090 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -4.0770 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -1.6670 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -6.0860 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -8.3320 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -8.2980 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -9.7080 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -8.2440 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -9.5610 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -10.2430 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -12.0060 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -12.0380 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -10.2000 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -10.8690 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -15.8030 4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -17.5580 3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 -17.2840 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 -15.2410 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -9.0870 -0.0180 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1740 -8.6020 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 29 2 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 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END