IFLAB-ZINC04341680 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -1.7340 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -2.4150 -0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -2.2560 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 -3.9120 -1.2040 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 -4.2670 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3370 -5.4940 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 -6.6440 -2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 -7.4990 -2.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9610 -6.9660 -1.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7200 -5.7220 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4760 -4.7740 -0.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9440 -3.6440 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 -3.3870 -0.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2100 -7.5980 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5160 -8.4200 -3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7470 -9.0420 -3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6750 -8.8480 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3720 -8.0290 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1410 -7.4090 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2220 -9.6310 -2.1820 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.0330 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -2.3030 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -1.5890 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 -6.7900 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5870 -2.8980 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7920 -8.5710 -3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9860 -9.6810 -3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0990 -7.8790 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9030 -6.7740 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END