IBS-ZINC02322692 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -2.6110 -2.7540 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -4.3520 -2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -4.9400 -1.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -6.2650 -1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -6.5320 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -5.3000 -3.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -5.0650 -4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -4.9720 -4.3600 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4910 -5.8680 -3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -4.8520 -5.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -4.8820 -5.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 -4.7850 -6.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5860 -4.6650 -7.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -4.5650 -8.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 -4.5840 -8.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3510 -4.7060 -7.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5230 -4.8020 -6.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1140 -4.9180 -5.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4700 -4.9310 -5.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2850 -4.8310 -6.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7470 -4.7290 -7.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -3.8220 -3.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -7.8680 -3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -8.1250 -4.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -8.8620 -2.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -9.7840 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -8.5940 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -9.5150 -0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -7.3290 -0.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -7.0780 0.4250 C 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 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -5.8890 -5.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 -4.1320 -5.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -5.6830 -6.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -3.9110 -6.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 -4.6480 -7.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9540 -4.4710 -9.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3790 -4.5060 -9.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4950 -4.9960 -4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9220 -5.0200 -4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3580 -4.8430 -6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3910 -4.6520 -8.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -2.9870 -3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -7.0240 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -7.8880 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -6.1340 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 M END