NIH-ZINC04034594 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 0 0 0 0 0 0999 V2000 0.4300 1.5800 1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 0.1370 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -0.8480 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -2.1710 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.5120 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -1.5200 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -0.1990 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -3.8490 0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -4.8350 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -4.8260 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -4.0710 0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -5.6580 1.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -5.7180 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 -5.5370 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -5.5970 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9600 -5.8370 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4270 -6.0190 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -5.9640 2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 -6.2540 3.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 -6.4310 4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3070 -5.8950 0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7840 -5.6990 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -4.3200 -1.2950 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -5.5040 -1.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -3.1560 -2.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -4.7910 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -6.0730 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -6.0290 -0.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -4.7160 -1.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -3.9770 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 -2.5070 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 -4.2310 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -7.2940 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 2.0310 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 2.1180 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.6360 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -0.5820 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -2.9400 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -1.7810 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 0.5720 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -5.8260 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -4.5830 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -6.2150 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -5.3500 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 -5.4560 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -6.1090 3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 -7.2840 4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 -5.5340 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 -6.6110 5.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4820 -4.7130 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3640 -6.4640 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8720 -5.7700 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -1.9280 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -2.2360 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -2.2950 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 -4.3310 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 -3.1830 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 -4.8190 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -7.8090 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -7.9630 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -6.9930 -0.1670 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 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 43 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 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 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 46 1 0 0 0 0 19 20 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 28 2 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END