NIH-ZINC05094536 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 1 0 0 0 0 0999 V2000 0.0250 1.3810 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 0.0680 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.6410 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -0.0430 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 1.2770 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 1.9850 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -0.8020 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 -0.9030 -1.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3940 -1.3680 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 -1.8620 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 -1.9350 -2.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 0.4160 -2.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 0.8840 -3.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9570 1.4950 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 1.7390 -3.7990 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7390 1.1290 -4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.2300 -4.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 1.1750 -5.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 1.1020 -6.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 0.2300 -4.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3770 2.4130 -2.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 1.4740 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 1.6010 -0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 1.9330 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.4040 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -1.6640 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 1.7600 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 3.0080 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 -0.3410 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -1.8050 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 3.1010 -5.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -0.6940 -4.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 3.3290 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 -2.4820 -0.5710 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 1 34 -1 M END