NIH-ZINC02191071 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 3.3270 0.3780 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -0.9280 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -1.1920 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -2.5070 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -2.8820 2.6490 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3100 -2.9600 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -1.8550 3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -1.5410 2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -4.2710 2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -4.8150 1.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -4.8480 4.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -6.1610 4.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -6.4430 5.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -7.8090 6.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -8.9140 6.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -10.1740 6.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -10.3280 6.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -9.2490 6.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -7.9920 6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -11.9590 7.3730 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -11.9100 6.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -12.8650 6.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -12.0540 8.9480 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.2270 -11.3520 9.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 0.3600 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.5470 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 1.2260 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.8890 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -1.7500 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 -1.2310 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -0.3580 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -2.4570 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -3.3150 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -2.2150 4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -0.9210 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -0.8530 3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -1.0600 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -2.4450 2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -4.3580 4.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -6.2120 3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -6.9010 3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -6.3450 6.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -5.6760 6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -8.8000 6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -11.0230 6.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -9.3780 7.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -7.1520 6.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 23 -1 M END