NIH-ZINC00613664 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 5.5730 -5.3570 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -5.0630 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -3.7630 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -3.4830 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -4.5000 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -5.7930 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -6.0720 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -4.2010 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -4.9330 -1.0990 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -6.3730 -0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -4.2310 -0.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -4.5070 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -5.4170 -3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -5.0790 -4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -3.8450 -5.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -2.9480 -4.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -3.2770 -3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -3.5260 -6.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -4.1110 -7.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -3.8790 -8.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -3.1010 -9.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 -5.2030 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 -6.3900 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -4.7060 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -2.9620 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -2.4730 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -6.5890 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -7.0840 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -3.2480 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -6.3810 -2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -5.7870 -5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -2.0000 -4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -2.5790 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -2.4390 -6.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -3.9280 -6.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -5.1930 -7.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -3.6720 -7.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -4.5070 -9.8440 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 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 17 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 M CHG 1 38 -1 M END