IBS-ZINC05051572 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 -0.4920 1.5370 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 0.5360 1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -0.6190 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -1.5540 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -1.9580 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -2.4640 2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -3.5930 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -3.8460 3.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -5.0240 4.5480 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4300 -5.9020 3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 -4.9710 5.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -3.6250 5.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -2.9850 4.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -1.9150 3.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -3.0760 6.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -5.9690 6.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -7.2090 6.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 -5.8740 7.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 -5.5800 8.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 -5.4900 9.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 -5.6950 8.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 -5.9930 7.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -6.0890 6.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6430 -6.2190 7.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -6.0000 7.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -4.9930 5.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -6.1730 5.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -6.1340 6.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -4.9290 6.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -3.8050 6.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -3.8070 5.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 1.1250 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 2.4420 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 1.8330 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 0.9200 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 0.2840 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -0.8320 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 0.4130 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -1.4320 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -2.6050 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -1.3340 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -1.6550 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -2.7410 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -1.6430 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -2.8230 3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -4.5190 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -3.3070 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -7.7970 6.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -5.4080 8.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 -5.2550 10.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0450 -5.6140 9.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 -6.3230 5.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6770 -6.1610 7.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8400 -4.9690 8.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 -6.7180 8.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -7.1170 4.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -7.0420 6.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -4.8710 7.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -2.8410 6.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -0.7440 1.3610 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0380 -0.8910 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 60 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 60 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 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 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END