IBS-ZINC02207604 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -0.0920 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 0.6120 -0.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.4920 -2.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -0.0860 -2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 0.5640 -4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -0.3970 -5.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -0.6800 -4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -1.3480 -3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 0.2250 -6.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 1.3280 -6.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 -0.4450 -7.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 0.1600 -8.8700 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5110 0.7500 -8.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -0.9430 -9.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -1.7720 -9.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 -3.0800 -10.9570 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 -3.9400 -10.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 1.0520 -9.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 1.1700 -8.3490 O 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 0.6310 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -0.9620 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 1.4890 -4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 0.7830 -4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -1.3310 -5.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 0.2570 -4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.3460 -5.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -2.3250 -3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -1.4650 -3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -1.3270 -7.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -1.5870 -9.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -0.4930 -10.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 -1.1280 -9.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 -2.2220 -8.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 -4.7600 -11.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4130 -3.2410 -10.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 -4.3360 -9.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 1.7150 -10.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 2.2740 -10.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 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 13 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 51 52 1 0 0 0 0 M END