OTAVA-ZINC05554014 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 0.0190 1.5210 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 0.0140 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.7020 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -2.4200 0.7610 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.1320 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -0.7620 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.3290 -2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 0.8580 -2.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -1.2600 -3.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.5820 -3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.9950 -2.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.8440 -4.9610 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0580 0.2440 -5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -1.3990 -5.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -1.3750 -5.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -2.0350 -5.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -1.1150 -6.9740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -1.5080 -7.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -1.6780 -6.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 -2.0660 -7.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -2.2850 -8.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -2.1160 -9.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -1.7330 -8.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -1.5550 -9.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 -2.3920 -11.3000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.1190 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 1.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 1.8850 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 1.8770 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -3.3100 -4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.4870 -5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -1.0150 -5.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -1.0890 -6.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.6560 -7.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -1.5070 -5.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 -2.1980 -6.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 -2.5880 -9.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -0.5260 -10.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -2.2330 -10.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -1.7780 -9.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 0.0160 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -0.7960 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 0.8450 2.4870 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 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 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END