NIH-ZINC00251722 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 57 0 0 1 0 0 0 0 0999 V2000 0.3200 1.6070 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 0.2490 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -1.8560 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -2.5070 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -0.3190 2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 0.3390 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 -2.4630 3.8490 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8990 -2.0070 4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -3.9630 3.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -4.6110 4.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -6.0280 4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 -6.4260 3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -5.0990 2.9930 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -2.0240 4.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0850 -0.9320 4.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -2.3950 5.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -2.4980 3.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 -2.2980 1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 -1.7600 1.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3410 -2.8150 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 -2.8860 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5880 -3.0960 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 -4.0130 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 2.3480 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 1.9790 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 1.5500 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -0.4320 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 0.3060 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -1.9600 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -2.3140 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -2.4550 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -3.5470 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 0.1630 3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -0.2380 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 1.3800 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 0.2970 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -4.0980 5.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -6.7220 5.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -7.4370 3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 -1.9640 5.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -2.0140 6.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 -3.4790 5.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -2.9950 3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 -2.1300 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5930 -3.8020 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 -1.9380 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0440 -4.0320 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5120 -3.1320 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 -2.2750 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 -3.8620 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1890 -4.0570 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -4.9860 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -0.3650 0.6240 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4410 -0.2610 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -1.8050 2.5320 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8760 -1.8610 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 53 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 55 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 55 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 53 1 M CHG 1 55 1 M END