NIH-ZINC06530747 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 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 0.0220 -0.7740 1.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.0170 0.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -2.4140 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -1.0370 -1.4280 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -3.7380 -0.8360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -4.7370 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -4.4820 1.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -6.1710 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -7.2710 1.0470 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -8.8760 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -9.1610 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -10.5250 -1.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -11.1580 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -10.1580 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -10.5140 2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -11.8340 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -12.8240 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -12.4960 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -11.2020 -2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -11.5680 -2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -12.2450 -4.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -12.6620 -4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 -12.4760 -4.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -13.3450 -6.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -13.7780 -6.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -14.4150 -7.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -14.6240 -8.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -14.1980 -7.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -13.5550 -6.6920 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 0.0400 -3.9410 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -6.3720 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -6.3470 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -8.4290 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -9.7490 3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -12.1080 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -13.8630 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -13.2740 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -10.5380 -3.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -12.1080 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -12.2320 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -10.6620 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -12.3930 -4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -13.6160 -6.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -14.7500 -8.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -15.1240 -9.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -14.3640 -8.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -13.2180 -6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M END