NIH-ZINC04005045 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 64 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8440 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5710 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -2.3760 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -3.8330 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -4.2050 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 -3.4030 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -1.9080 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 -1.5100 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -3.7810 -2.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4070 -3.6250 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8580 -3.1710 -0.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3180 -4.0050 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8080 -4.5290 -4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6490 -4.8830 -5.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0410 -4.7300 -5.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5370 -4.2080 -3.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6980 -3.8530 -2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2950 -4.1490 -4.1550 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.3000 -4.8150 -5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0060 -5.0470 -6.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0290 -5.5700 -7.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3260 -5.6300 -7.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0840 -5.1610 -6.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8270 -6.1230 -9.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1950 -6.1310 -9.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6570 -6.5900 -10.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7610 -7.0460 -11.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3980 -7.0400 -11.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9290 -6.5760 -10.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2190 -7.4980 -12.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2430 -7.9520 -13.6830 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 0.5120 -0.3560 -0.8950 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 -1.9820 -4.3260 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -4.1470 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -3.9730 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 -5.2700 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 -3.6170 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 -1.6970 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 -1.3380 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -1.6380 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -0.4690 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -4.1430 -2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 -4.6540 -4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2370 -5.2860 -6.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1080 -3.4550 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1730 -5.8710 -8.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8920 -5.7770 -8.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7170 -6.5960 -10.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7030 -7.3950 -12.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8680 -6.5670 -9.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7410 -8.2850 -14.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5600 -7.1360 -13.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6820 -8.7810 -13.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 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 11 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 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 M END