NIH-ZINC06498956 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 68 0 0 1 0 0 0 0 0999 V2000 -0.0200 1.8660 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 0.3650 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -0.2560 -0.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -1.6120 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -2.1500 -1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -3.5220 -2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -4.3870 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -3.8380 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -2.4630 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -5.8790 -1.7390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6920 -6.0970 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -6.5160 -2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -7.3900 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -7.4560 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -8.1380 0.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -6.6140 -0.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -6.4690 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -5.6110 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 -4.2570 2.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 -6.6170 2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -7.9600 -0.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -6.3370 -3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -5.4890 -4.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -6.9390 -3.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -6.2870 -3.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 -7.2420 -4.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -8.4250 -4.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -9.2940 -4.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -8.2580 -4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -9.3860 -4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 -7.1020 -4.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 -6.0720 -4.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 -8.3070 -5.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5990 -8.2870 -5.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 -4.8590 -3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 2.1230 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 2.2280 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 2.3920 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 0.0290 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 0.1360 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -1.4920 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -3.9030 -2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -4.4710 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -2.0900 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -7.4780 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -6.0530 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -4.6240 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -6.0690 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -4.5500 3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5570 -3.3580 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 -4.0900 3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 -7.3470 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -7.0040 3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 -6.3460 2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -5.5010 -5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -9.8430 -3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -10.1600 -4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -9.0410 -4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8670 -9.2950 -5.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2500 -8.0080 -4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7300 -7.6020 -6.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -4.3290 -4.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -4.7860 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -4.3410 -3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 -5.3760 1.9530 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5750 -5.0560 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 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 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 22 2 0 0 0 0 13 14 1 0 0 0 0 13 21 2 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 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 65 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 65 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 65 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 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 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 65 66 1 0 0 0 0 M CHG 1 65 1 M END