IBS-ZINC04039295 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -1.2520 1.0710 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -0.2020 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.6990 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -1.9140 0.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -2.8650 1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -3.9800 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -4.1650 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -3.2530 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -2.0740 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.0660 -1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.2080 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 0.4460 3.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 0.9840 4.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8970 0.1850 5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 1.3030 4.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 1.1890 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 1.3840 3.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 0.7050 2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 0.5550 1.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 1.6840 5.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 0.5030 6.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 1.5190 8.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 -0.1690 8.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 2.1790 4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 2.0350 5.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 3.1360 5.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 4.3590 5.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 4.5460 4.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 3.4550 4.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -0.4390 3.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 1.9230 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 1.1740 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 1.1120 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -2.6730 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -4.7460 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -5.0680 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -3.3910 -2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 2.4790 5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 2.0950 6.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -0.2390 6.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 0.0100 5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 0.7650 9.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 2.4200 8.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 1.7850 9.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 -0.4880 7.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -0.9890 8.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 0.2210 8.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 1.0630 5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 3.0390 6.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 5.2480 5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 3.6570 3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -0.8360 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 0.9480 7.7130 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3460 1.6900 7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 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 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 53 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 53 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END