NIH-ZINC06530630 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 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 -0.6970 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0630 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7700 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2340 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.8640 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -4.1160 -2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7720 -2.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0700 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6800 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -4.7030 -3.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -6.3700 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -6.8740 -1.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -6.9730 -2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -8.3010 -3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -8.4040 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -9.6440 -5.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -7.3310 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -8.2450 -0.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -7.6520 0.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 -5.9070 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 -5.6350 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 -4.5190 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -3.6700 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -3.9390 1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 -5.0710 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -3.0380 2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -3.2740 3.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -1.8220 3.3950 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 0.0240 -0.1520 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.5950 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -4.7980 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1310 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -2.2880 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -6.6930 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -6.7620 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -6.9260 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -6.1470 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -8.3470 -3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -9.1260 -2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -8.3570 -4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -7.5780 -5.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -9.7780 -6.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -6.2950 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9440 -4.3130 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 -2.8000 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -5.2880 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 -2.0820 4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -1.0370 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 -1.4660 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 37 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END