NIH-ZINC04019699 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -2.8980 1.4850 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 1.4870 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 3.4780 1.6170 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0620 3.8400 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 3.9710 2.8610 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1810 3.4190 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 5.4510 2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 5.8040 3.8160 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5450 5.2470 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 7.3000 3.7650 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4430 7.5340 2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 7.6940 4.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 8.6570 4.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 9.0230 5.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3590 8.4290 7.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 7.4530 7.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 7.0750 6.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 6.0170 6.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 5.4330 5.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 4.4860 5.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 4.2460 6.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 3.7310 4.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0210 4.0750 4.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 4.1840 2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 3.9690 1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 4.2030 0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 4.5070 2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 5.6430 2.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 3.5440 2.9990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 4.2860 5.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 2.3340 4.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 5.6370 7.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 6.8680 8.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 9.4160 3.2460 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 8.0320 3.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 0.3970 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 1.8800 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 1.7890 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8770 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 0.3980 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 1.7960 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 6.0570 2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 5.6380 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 9.7780 5.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9700 8.7260 7.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 2.6240 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 3.7700 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 4.5790 5.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 2.0870 5.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 6.3260 8.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 6.0760 8.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 8.9920 3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 2.0100 1.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 53 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 3 53 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 24 2 0 0 0 0 23 30 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 35 52 1 0 0 0 0 M END