NIH-ZINC04103495 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7000 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0650 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7740 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0700 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6820 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -3.0280 -2.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.8640 -3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -4.2440 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.0960 -0.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -5.5690 -2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -5.9400 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -7.2550 -3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -6.7950 -4.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -5.4650 -3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -8.3020 -5.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -8.0230 -6.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -6.9320 -7.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -8.9840 -7.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -8.6840 -9.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -9.0180 -9.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -10.4740 -8.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -11.1630 -7.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -11.4630 -7.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -10.2980 -7.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1560 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.5970 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1360 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -6.3380 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -5.1510 -3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -6.0570 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -7.5150 -3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -8.0460 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -7.5880 -3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -6.7190 -5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -5.2440 -3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -4.6690 -4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -9.1280 -5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -8.5690 -5.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -7.6250 -9.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -9.2800 -9.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -8.5740 -8.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -8.6050 -9.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 -10.6770 -9.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -10.9060 -9.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -10.5070 -6.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -12.0930 -7.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -12.3770 -7.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -11.6000 -9.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -10.3600 -7.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -10.3890 -6.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -7.1040 -4.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 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 16 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 56 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 56 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 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 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 M END