NIH-ZINC04301964 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 67 0 0 1 0 0 0 0 0999 V2000 2.6590 1.5310 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 0.0820 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -0.7420 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -0.0120 0.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4320 0.4250 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 0.7630 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 0.0290 -1.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -1.4160 0.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -1.7180 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -2.2420 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -1.8920 2.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -3.6450 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -4.4650 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -5.9020 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -6.5220 1.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -5.8040 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -4.3700 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -7.6870 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -8.2580 2.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -8.2930 0.7800 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 -7.4970 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -9.0980 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -9.4130 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -10.1040 -2.8520 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -10.4300 -4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -9.1290 1.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -9.5100 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 -9.4210 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 -9.0340 0.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -10.2150 2.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -10.7050 2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 -9.5500 2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8960 -11.5530 3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 -11.6040 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 1.5690 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 2.1270 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 2.0140 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -0.3140 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -0.4460 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -1.8130 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 -0.6030 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -3.5340 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -4.4810 3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -3.9910 3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -6.4680 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -5.9220 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -6.2950 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -5.8120 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -3.8420 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -4.3760 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -10.0310 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -8.5320 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -8.5060 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -10.1510 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -10.8590 -4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -9.5020 -4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 -11.1430 -3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 -8.8710 3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7460 -9.9190 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 -8.9490 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 -12.3700 3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 -11.9850 3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7260 -10.9500 4.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -11.0390 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 -12.1030 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 -12.3710 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 1.9830 -0.3610 O 0 5 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 4 1 0 0 0 0 2 38 1 0 0 0 0 3 39 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 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 67 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 M CHG 1 67 -1 M END