IFLAB-ZINC04941773 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 3.0360 7.3230 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 8.3500 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 8.5990 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 7.8200 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 6.7920 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 6.5400 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 5.4970 -0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 4.2650 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 3.5500 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 4.3680 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 5.5410 -0.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 3.7440 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 2.3000 0.4300 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 2.1520 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 3.8090 1.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 2.4910 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 1.7130 0.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 1.9890 1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 1.7920 3.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 1.7530 1.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9590 1.1620 2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7960 2.2790 2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5860 3.0010 1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 3.7310 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3860 2.7720 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 2.1040 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 9.8910 -0.0580 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 7.1310 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 8.9590 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 8.0170 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 6.1840 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 4.4440 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 3.4210 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 1.4250 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 1.8760 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 4.4390 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 0.5120 2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5980 0.5760 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 2.9790 3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4680 1.8360 3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2160 3.7300 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 2.2860 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8410 4.1140 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3270 4.5590 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 3.3140 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1540 2.0020 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9350 1.1980 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 2.7910 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END