IFLAB-ZINC04190458 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -1.2690 1.4100 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -0.0820 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -0.9110 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -2.2790 1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -2.8190 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -1.9900 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -0.6220 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -4.5630 0.7730 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -4.7680 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -5.0710 2.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -5.1650 -0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -6.4300 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -6.9470 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -6.1160 -1.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -6.6030 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -7.9130 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -8.7420 -2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 -8.2640 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1920 -8.5190 -3.9190 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -7.2870 0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -8.4650 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -9.4250 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -10.5870 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -10.7950 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -9.8370 1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -8.6720 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -11.9400 2.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -12.0890 3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 1.8450 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 1.8400 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 1.6240 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -0.4900 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -2.9270 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -2.4110 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 0.0260 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -5.0950 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7850 -5.9610 -2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -9.7620 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -8.9100 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -7.0730 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -9.2630 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -11.3340 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 -10.0000 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -7.9230 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -11.2760 3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 -12.0600 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -13.0430 3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 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 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M END