IFLAB-ZINC04280023 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 0.4740 -0.4570 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 0.4060 3.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 1.2340 4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 2.6220 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.7920 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 3.5460 4.7300 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6210 3.1920 4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 5.0290 4.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 5.4690 4.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 4.7340 3.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 6.7070 4.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 7.3830 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 6.8780 3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 7.6110 3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 8.8530 4.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 9.3620 5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 8.6320 5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 9.4570 4.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 10.6960 5.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 3.5670 6.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 3.4490 6.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -1.4660 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.0070 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.4800 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 0.8290 3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -0.6320 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 0.7860 4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 1.2940 5.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 3.6510 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 2.2010 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 1.6970 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 2.2430 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 5.2120 3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 5.6590 5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 7.1930 5.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 5.9150 3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 7.2010 3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 10.3210 5.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 9.0570 5.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 11.0290 5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 11.4620 4.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 10.5790 6.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 0.3830 1.9000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.0780 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 2.6390 3.7120 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1140 3.1140 3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 3.6710 7.0830 O 0 5 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 43 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 45 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 45 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 43 1 M CHG 1 45 1 M CHG 1 47 -1 M END