IFLAB-ZINC02711642 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -4.9030 -0.0070 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -6.6370 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -7.1340 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -8.6020 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -8.9100 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -7.5730 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -7.2570 0.0160 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -8.4100 0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -5.9560 0.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 -7.1510 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 -8.2840 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 -8.2020 -3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3260 -6.9840 -4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 -5.8500 -3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 -5.9330 -2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 -6.8790 -5.9370 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -9.0010 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -9.0090 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -9.4580 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 -9.4670 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 -9.2350 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 -9.0870 -4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -4.8990 -4.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -5.0460 -1.7960 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 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 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 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 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 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 40 1 0 0 0 0 23 41 1 0 0 0 0 M END