NIH-ZINC04301998 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 1 0 0 0 0 0999 V2000 0.0170 1.1370 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.2230 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.8790 -0.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8000 -0.8310 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -0.0930 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -2.3750 0.3660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5380 -2.8750 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -2.5840 1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -2.9740 2.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -3.0660 0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -3.3080 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -3.3950 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -3.1690 -2.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -4.0080 -1.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 -4.4640 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -5.3590 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 -4.7260 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 -4.2890 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 1.5080 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 1.0700 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.8770 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -0.8800 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -0.1010 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -0.5890 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 0.0180 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 0.9100 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2980 -3.5830 -2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -4.9860 -2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8820 -5.4070 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 -6.3770 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0950 -3.8500 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 -5.4110 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -5.0970 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 -3.4060 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -2.3700 2.1450 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 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 18 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M CHG 1 35 -1 M END