IFLAB-ZINC04496976 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 1.2280 1.2040 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -0.2910 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -0.8640 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -2.2330 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -3.0350 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -2.4570 1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -1.0870 2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -4.4230 0.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -5.1200 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -6.5310 -0.3490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0530 -6.5640 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -6.7040 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -5.2890 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -4.9810 2.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -7.5420 -1.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -8.7010 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -8.9080 -0.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -9.7210 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -9.5050 -3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -10.4600 -3.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -11.6310 -4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -11.8510 -3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -10.9060 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -11.1510 -1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -13.1060 -3.7130 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0380 -13.9940 -4.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 -13.2500 -3.2560 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2350 1.6540 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 1.4370 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 1.6020 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -0.2400 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -2.6800 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -3.0780 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -0.6370 3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -4.6010 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -5.1900 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -7.2500 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -7.2180 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -7.3760 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -8.5920 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -10.2950 -4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -12.3760 -4.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -10.7540 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -12.2220 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -10.6530 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 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 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 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 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 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 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END