NIH-ZINC04042234 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.9450 1.7270 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 0.2780 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -0.4440 1.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -1.7770 1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -2.5000 2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -3.8680 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -4.5370 1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -3.8160 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -2.4520 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -1.6320 -0.6460 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -5.9870 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -6.6150 3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -8.1030 3.1290 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5380 -8.3960 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -8.2160 4.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -7.0180 4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -6.8010 5.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -5.9650 4.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -4.7870 4.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 -9.4710 4.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 -9.6740 4.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 -12.1740 4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0430 -10.8260 4.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -8.9850 3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -10.0010 2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -10.8120 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -10.6250 3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -9.6300 4.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -8.8140 4.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -6.6530 1.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 1.8030 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 2.3270 2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 2.1520 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 0.2300 3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -0.1270 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -2.0360 3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -4.4040 3.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -4.3240 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -9.4340 5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -10.2990 4.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -9.8720 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 -8.7780 4.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -12.3390 3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -12.1830 4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 -12.9330 4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 -9.8610 4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1030 -10.9820 3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 -11.6290 4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -10.1700 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -11.5910 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -11.2560 3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -9.4880 5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -8.0450 5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -7.5630 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 -10.8270 4.7490 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5820 -10.6710 5.7670 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 55 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 55 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END