IFLAB-ZINC04139684 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.6500 2.3890 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 1.0590 -0.4950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4210 1.2820 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 0.1070 -1.4930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1040 0.0650 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -1.3320 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.4510 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -3.6500 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -3.4140 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -1.7590 0.3940 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 1.3940 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.6180 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 2.3010 -2.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.5390 -3.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 1.2950 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 0.4430 0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 0.2120 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 0.5020 2.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -0.3600 1.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -0.7210 2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 -1.2820 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 -1.6610 4.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 -1.4810 5.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -0.9270 5.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -0.5490 4.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -1.9440 6.8430 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 2.9900 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 2.2250 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 2.9910 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -2.4200 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -4.6370 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -4.1360 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 0.8320 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 2.3520 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 2.2410 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 0.6700 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 2.1070 -4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 0.5940 -3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 2.2370 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 0.6440 -4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 0.1900 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -0.5410 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 -1.4310 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2740 -2.0920 4.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -0.7840 6.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -0.1200 4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 0.6000 -1.9700 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4110 -0.2730 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 41 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 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END