NIH-ZINC04103590 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8110 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -2.6720 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -4.0310 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -4.5780 -1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -3.7040 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.3260 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -4.6600 -3.9030 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -6.1440 -3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -5.8760 -1.9810 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -7.4220 -3.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -8.4950 -2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -8.3420 -1.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -9.8850 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -11.1010 -2.1530 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -12.5920 -2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -12.6620 -4.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -13.9380 -4.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 -14.7260 -3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -13.8490 -2.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -14.2080 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -13.6200 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -13.6490 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -16.1250 -3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -16.8350 -2.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -16.6750 -4.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -15.9060 -5.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 -16.4360 -6.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -14.5610 -5.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 -13.7570 -6.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -18.1340 -4.7330 C 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 -0.2490 -2.2670 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -4.6880 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -1.6580 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -7.5440 -4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -10.0280 -4.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 -10.0130 -3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -15.2940 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -12.5340 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -13.8870 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -14.0180 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -14.0680 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -13.9160 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -12.5640 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 -13.5480 -6.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -14.3060 -7.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -12.8180 -6.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -18.5050 -5.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -18.4060 -5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -18.5750 -3.7370 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 37 1 0 0 0 0 2 38 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 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 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 41 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 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 31 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 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 M END