NIH-ZINC04437221 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 69 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -2.5000 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -4.0270 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -4.0520 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -2.5260 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -6.0420 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -6.5720 2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -8.1020 2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -8.6110 3.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -9.9390 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -10.7140 2.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -10.4620 3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -11.9930 3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 -12.5180 3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 -12.0180 2.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2810 -10.5510 2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 -9.9680 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4620 -12.5800 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7690 -13.4360 4.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9610 -13.8450 4.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7980 -13.3830 3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9230 -12.2540 2.2490 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.1490 -13.7160 3.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8190 -14.5870 3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1020 -14.6460 3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2310 -13.7800 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0240 -13.2200 2.2570 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 -1.0200 -0.3810 0.0100 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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -2.2080 3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -2.0910 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -4.3180 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -4.4170 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -4.4610 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -4.3440 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -2.1360 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -2.2340 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -6.3980 3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -6.3960 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -6.2180 3.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -6.2150 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -8.4570 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -8.4590 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -7.9910 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 -10.1060 4.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -12.3480 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 -12.3520 4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -13.6080 3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 -12.1740 4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0340 -10.2130 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5520 -10.2160 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 -8.8790 2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -10.2910 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3950 -15.1350 4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8870 -15.2460 4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1320 -13.5960 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7880 -12.5050 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.9800 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -4.5730 2.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 65 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 65 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 66 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 6 66 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 7 65 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 8 66 1 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 51 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 M END