NIH-ZINC04411372 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7120 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0970 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.6990 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.9920 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6670 -1.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.8350 -2.7050 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -1.4200 -3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -1.9140 -5.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -2.1800 -5.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -2.5790 -7.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -2.5880 -7.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -2.1590 -6.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -1.9970 -5.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -3.2840 -5.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -4.2930 -5.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -5.2930 -4.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -4.8370 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -3.6170 -3.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -3.0580 -8.6440 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -3.4780 -9.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -3.9220 -11.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -3.9510 -11.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -4.2860 -12.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -4.6950 -13.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -4.7640 -13.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -5.1740 -14.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -5.4670 -15.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -5.1890 -14.7000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -5.9570 -17.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.9070 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1950 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -0.8280 -3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.8040 -3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -1.7460 -6.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 -1.1970 -4.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -4.3310 -6.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -6.2420 -5.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 -5.3610 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -4.2850 -9.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -2.6030 -9.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -4.2620 -12.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -5.2660 -15.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -7.0460 -17.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -5.6210 -17.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -5.5570 -17.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -3.1170 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -3.8460 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -2.3460 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 21 22 1 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 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END