NIH-ZINC04058454 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8010 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -2.5480 -0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.3610 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -3.8900 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -4.4580 -3.7420 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1660 -4.0380 -3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -5.9580 -3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -6.6620 -4.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -6.5100 -2.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -7.9610 -2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -8.4020 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -4.1090 -4.9420 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -4.0380 -6.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 -4.2630 -6.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -3.6860 -7.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -3.6120 -8.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -3.2840 -9.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -3.0260 -9.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -3.0990 -8.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -3.4320 -7.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -2.6950 -10.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -2.4240 -10.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -0.9810 -10.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -0.1740 -11.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -0.5240 -12.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 1.2460 -11.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 1.1170 -9.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -0.3620 -9.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -0.9000 -8.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -2.0270 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -2.0110 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -4.2230 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -4.2400 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -8.3550 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -8.3400 -3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -8.0230 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 -9.4910 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 -8.0080 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -3.9290 -4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 -3.8110 -8.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -3.2260 -10.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -2.8990 -8.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -3.4930 -6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -2.6440 -11.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -2.7860 -11.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -2.9340 -9.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 1.8930 -11.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 1.6210 -11.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 1.7010 -9.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 1.4290 -9.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 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 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 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 47 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 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 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 M END