NIH-ZINC00251581 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.0650 2.0960 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 0.5740 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7920 0.2980 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -0.2430 0.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8750 -1.3020 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -0.1210 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -1.0280 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -0.6030 -3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 0.6120 -3.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 1.2290 -1.6540 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -0.8920 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -0.5160 2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -0.5600 3.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 0.3730 3.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 0.0610 2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.1890 -1.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -1.0690 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.9190 -0.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -1.3680 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -2.2940 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 -2.5800 -3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -2.0210 -4.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -1.1430 -4.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -0.7860 -3.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 2.5690 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 2.4810 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 2.4370 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -1.9570 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -1.1600 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 1.1650 -3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -1.8950 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -0.8310 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 0.4810 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -1.2320 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 1.3910 3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 0.3050 4.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 0.8210 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -0.9380 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 0.8750 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 -2.7780 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -3.2900 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -0.7250 -5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -0.0980 -3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 0.0790 1.2380 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3940 1.0210 1.0840 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 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 44 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END