IBS-ZINC04042899 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 0.4540 1.0890 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 1.5530 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 2.9280 -1.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 0.7420 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -0.7270 -2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -1.2920 -3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -2.4880 -3.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -0.2210 -3.9550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 1.0780 -3.3740 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5200 1.6090 -4.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 1.8910 -2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 3.1690 -3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 3.9340 -3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 3.4560 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 2.1720 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 1.4060 -2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7660 4.2020 -1.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 5.6310 -2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9280 3.5640 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -0.3750 -5.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -0.6100 -5.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -0.9730 -6.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 -1.1470 -6.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6390 -1.5490 -7.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1580 -1.7200 -7.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6280 -1.3630 -6.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -1.4070 -1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 0.2460 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.8890 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 0.8060 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 3.5890 -4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 4.9140 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1350 1.7300 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 0.4140 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 5.8110 -3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6880 6.0980 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 6.1470 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 2.6640 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 3.3010 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8000 4.2280 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 0.5080 -5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -1.2420 -5.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -1.4120 -4.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 0.2910 -4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2200 -0.1870 -7.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 -1.9010 -6.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 -1.9090 -5.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 -0.2080 -5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4780 -0.7900 -8.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2320 -2.4950 -7.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 3.2190 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7540 -2.1960 -8.1980 O 0 5 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 4 2 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 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 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 M CHG 1 52 -1 M END