NIH-ZINC00251580 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.2560 2.1030 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 0.5780 0.1880 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2900 0.3440 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -0.1970 -0.9770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5570 -1.2530 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -0.1390 -2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -1.1100 -2.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -0.7340 -4.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 0.5100 -4.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 1.2130 -3.3270 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -0.7040 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.2290 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 -0.2170 -1.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 0.6830 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 0.2720 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 0.1000 0.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -1.1760 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -1.9650 1.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -1.5730 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -2.5200 2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -2.8990 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 -2.4090 1.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -1.5070 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 -1.0600 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 2.5110 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 2.4360 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 2.5580 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -2.0520 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -1.3440 -4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 1.0390 -5.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -0.6860 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.7090 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -0.9150 -3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 0.7690 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 0.6620 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 1.7040 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -0.7290 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 1.0080 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 0.7340 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -2.9520 2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 -3.6290 2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -1.1460 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 -0.3590 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 0.2260 -1.1670 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9460 1.1660 -1.5840 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