NIH-ZINC04039270 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 0 0 1 0 0 0 0 0999 V2000 0.1430 1.5360 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.0550 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -0.7310 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -2.0580 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -2.0910 -0.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -2.9250 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -0.8260 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.5550 -2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 0.5420 -3.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -1.7320 -3.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -1.5890 -4.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -3.3070 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -0.2570 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -0.2650 3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 0.1570 4.7370 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2900 -0.4620 5.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -0.2200 5.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -0.7010 4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 -1.0480 4.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -0.7180 3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 -1.0350 1.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -0.1070 6.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 1.1250 6.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5780 2.0020 8.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5390 1.7090 9.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 1.5830 10.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 0.5000 10.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 0.7250 9.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 1.6170 5.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 2.1550 5.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 3.5790 5.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 4.0870 4.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 2.8540 4.1750 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 0.2180 2.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 1.7930 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 1.9610 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 2.0180 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.5830 -5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -0.9620 -5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -1.1720 -5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -3.5220 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.1620 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -3.2210 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -1.0180 6.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -0.0920 7.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 2.0080 7.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 1.3530 6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 2.0370 7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 2.9350 8.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 2.5350 9.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1160 0.7960 9.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 0.4450 11.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 -0.4410 10.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 1.6450 9.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -0.1310 9.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 1.5600 6.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 4.2010 6.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 5.1270 4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 0.7870 3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 0.8880 8.1000 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0540 0.0200 7.8910 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 34 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END