NIH-ZINC04411444 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 0 0 1 0 0 0 0 0999 V2000 0.0700 1.3500 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -0.0790 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -0.6990 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -2.0850 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -2.7130 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -1.9630 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -0.5820 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 0.0520 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 -2.7670 0.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 -1.8360 -0.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 -4.0590 -0.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -3.0000 1.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3380 -1.9810 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 -2.6400 2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1410 -3.8340 3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4350 -4.8650 2.9160 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1090 -5.1860 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 -4.2330 2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0370 -6.0550 3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 -6.3680 3.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9790 -6.7710 4.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6210 -7.9320 5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -8.0010 5.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -9.1450 6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -10.2290 6.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 -10.1600 5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4910 -9.0140 5.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 -11.3890 7.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8370 -11.2990 8.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -10.2190 8.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -12.5180 9.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 -12.4180 10.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -13.5670 10.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 -14.7760 10.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 -14.8010 9.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -13.6950 8.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 1.7170 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 1.7170 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 1.7070 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -2.6720 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -3.7920 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 0.0020 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 1.1300 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 -1.5580 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6480 -1.1930 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1000 -1.9180 3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2390 -2.9830 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -3.4950 4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0180 -4.2910 4.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7410 -4.9300 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -3.9980 3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9050 -6.4820 4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -7.1580 5.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -9.1980 6.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8120 -11.0030 5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4440 -8.9600 4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 -12.2590 6.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -11.4590 10.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -13.5210 11.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -15.6890 11.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 -15.7410 8.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 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 52 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 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 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 M END