NIH-ZINC06577017 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 65 0 0 0 0 0 0 0 0999 V2000 0.0110 1.5300 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 0.0010 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -0.4740 1.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.8220 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -2.6720 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -4.0330 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -4.5930 1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -3.7300 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -2.3500 2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -4.7000 3.8110 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -6.1750 2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -5.8940 1.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -7.4530 3.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -8.4590 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -9.8560 3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -10.0950 3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 -9.0060 4.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -7.6330 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 -11.4460 3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -11.5410 5.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -12.5490 3.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -13.8870 3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -14.7790 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -14.7470 1.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -13.3960 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -12.4470 1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -15.6680 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -15.7900 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -16.7100 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -17.4820 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -17.3090 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 1.9070 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 1.8920 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 1.8820 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -0.3760 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -0.3510 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -2.2570 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -4.6810 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -1.6900 3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -8.2810 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -8.3880 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -9.9330 4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -10.6040 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 -10.0570 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -9.0680 5.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -9.1450 4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 -7.5660 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -6.8550 4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -14.3100 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -13.8160 4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -15.8030 3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -14.4130 3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -13.4160 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -13.0490 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -11.4250 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -12.7290 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -15.1730 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -16.8260 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -18.2090 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -17.9070 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -16.4260 1.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 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 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 44 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 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 61 2 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 M END