IFLAB-ZINC04942184 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 1.4870 1.7930 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.3130 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.4780 1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8250 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -2.6510 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -4.0200 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -4.5690 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -3.7410 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -2.3730 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -5.9570 1.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -6.7810 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -6.3240 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -8.2710 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -9.0980 -0.2180 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -10.7770 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -11.1130 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -12.4380 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -13.4060 1.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -13.1520 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -11.8250 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -11.5810 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -10.4500 -2.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -12.6460 -2.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -13.8950 -1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -14.8200 -2.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -14.1700 -0.7850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -15.5620 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -12.4330 -3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 2.0780 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 2.3960 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 1.9580 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 0.0270 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 0.1470 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -2.2240 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -4.6630 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -4.1680 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -1.7300 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -6.3250 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -8.6190 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -8.5020 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -10.3410 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -12.6940 2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -15.8390 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -16.2130 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -15.6680 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -12.4500 -4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -13.2240 -3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -11.4670 -3.5230 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END