IBS-ZINC02290292 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8080 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -2.6680 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -4.0350 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -4.5570 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -3.7160 -2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -2.3320 -2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -1.4260 -3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -1.9640 -4.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -2.9270 -4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -1.1590 -5.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -1.6280 -6.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 0.2410 -5.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 0.7350 -4.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -0.1310 -3.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 2.1400 -4.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 2.4790 -5.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 1.3240 -6.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 1.2850 -7.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 3.0950 -3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 2.8720 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 4.5340 -3.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 2.8490 -3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -6.3030 -1.8650 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -6.5270 -2.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -6.8630 -0.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -6.8030 -2.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -8.0790 -2.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -8.5110 -3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -9.8310 -3.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -10.7450 -3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -10.3180 -2.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -8.9970 -2.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -8.7040 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -2.2680 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -4.7010 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -4.1270 -3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.2660 -8.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 2.1690 -7.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 0.3900 -7.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 3.0480 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 3.5630 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 1.8470 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 4.6930 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 5.2250 -3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 4.7100 -3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 1.8240 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 3.5400 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 3.0080 -4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -7.8000 -4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -10.1770 -4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -11.7940 -3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -11.0300 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 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 42 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 M END