NIH-ZINC04375218 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 69 0 0 1 0 0 0 0 0999 V2000 0.6400 1.4550 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 0.0330 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 0.0420 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -0.6020 -1.2620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7310 -0.6510 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 0.1840 -2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 0.0730 -3.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 0.9500 -4.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 1.5790 -4.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 1.0930 -3.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 1.5510 -2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 0.8520 -3.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 1.3570 -3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 0.7310 -2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8170 1.2160 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 2.3380 -3.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 2.9800 -4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 2.4870 -4.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 4.0780 -4.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 4.7140 -5.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5230 2.8850 -3.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 2.2200 -2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -2.9650 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -4.3750 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -4.9530 -1.6400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -4.1580 -2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -2.7540 -2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -6.2420 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -6.7810 -2.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -8.0480 -2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -8.8090 -1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -8.1850 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -6.9220 -0.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 1.4680 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 2.1600 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 1.8280 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -0.5470 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 0.6970 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -0.9590 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 0.4100 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 2.6370 -3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 1.3850 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -0.2340 -3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 1.0030 -4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 -0.1430 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4470 0.6960 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 2.9690 -5.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 5.1440 -5.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7120 5.5370 -6.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8800 4.0260 -6.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6400 1.1990 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3930 2.7690 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1010 2.2290 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -2.5180 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -2.9830 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -4.9700 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -4.3230 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -4.6010 -3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -4.0770 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -2.7930 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.1330 -3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -8.4410 -3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -9.8240 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -8.6940 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -2.0800 -1.4030 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8310 -2.0440 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 65 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 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 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 65 66 1 0 0 0 0 M CHG 1 65 1 M END