NIH-ZINC04039421 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 0.2120 1.8230 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 0.6320 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.6150 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -1.4230 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -0.7190 0.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -1.0600 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.5250 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 1.4720 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 2.5750 -0.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 0.9410 -0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 1.7890 -1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -2.8170 1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -0.9400 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -1.8640 3.1000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1770 -1.2350 4.4360 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8340 -1.6040 4.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -1.7920 5.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -2.3760 4.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -2.8390 5.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -2.3480 3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -2.7610 2.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -1.7020 6.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -0.5890 7.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -0.2520 9.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 0.2240 9.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 0.2810 4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 0.9710 4.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 2.3660 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 3.0990 4.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 2.4220 4.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 1.0260 4.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 4.4550 4.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 5.2500 4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 6.6860 4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 7.5770 3.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -0.4120 1.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.8820 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 2.7550 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 1.7790 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 1.2680 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 1.9880 -2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 2.7230 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -3.4980 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -3.1780 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -2.8730 2.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.6660 7.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -1.5660 7.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 0.4080 7.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -0.7120 7.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 0.7540 9.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -0.9830 9.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.2850 10.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -0.1440 9.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 1.2620 9.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 0.1200 10.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 0.4360 4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 2.8890 5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 2.9450 4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 0.5350 4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 5.0240 3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 5.0630 5.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 7.0090 5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 7.3070 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 8.6060 3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -2.7880 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -0.6310 9.0880 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6450 -1.5970 9.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 36 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 65 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 66 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 66 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 25 66 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 32 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 2 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END