IBS-ZINC01270681 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 -0.4590 1.8080 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 0.3180 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -0.2520 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -1.6270 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -2.3490 0.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -1.7720 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -0.4600 -1.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -2.7710 -2.3400 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -1.4950 -3.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -2.1450 -4.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -1.1120 -5.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -0.6230 -6.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 0.3380 -7.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 0.4070 -7.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -0.4510 -6.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -0.6460 -6.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -1.1610 -7.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 0.5910 -6.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 0.2870 -5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -0.0550 -4.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 -0.3340 -4.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 -0.2700 -5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8440 0.0730 -6.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 0.3560 -6.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 1.0000 -7.9850 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 0.7080 -7.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 1.2980 -8.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -0.2180 -6.7010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -0.8940 -6.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -1.7320 -5.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 2.0160 -9.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -2.2910 2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.0560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 2.1330 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 2.3150 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 0.3600 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -0.7820 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -0.9750 -3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -2.8580 -4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -2.6650 -5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -2.0560 -8.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 -1.4090 -7.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -0.4020 -8.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 1.0090 -5.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 1.3110 -6.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 -0.1050 -3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -0.6030 -3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2040 -0.4890 -4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 0.1230 -7.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 0.6280 -7.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -0.4040 -6.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 2.9920 -8.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 2.0410 -9.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 1.7730 -9.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -2.3390 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -3.3000 2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -1.7140 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 M END