NIH-ZINC04039073 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 1 0 0 0 0 0999 V2000 -0.2100 1.6080 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 0.1320 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -0.6600 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -1.9640 0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -3.1780 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -4.3290 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -4.2820 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -3.1120 -1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -1.8860 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -0.6400 -1.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -0.3740 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 0.0360 2.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 0.2520 2.2600 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4380 0.9660 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 0.9340 3.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 1.0320 4.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 1.5420 5.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 0.4310 4.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 0.3140 5.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 1.5030 2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 2.8600 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6620 5.0340 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 5.7530 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 5.0790 0.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1620 3.7460 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 2.9130 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 -1.0290 1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -1.2590 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -2.4530 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 -3.4190 0.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -3.1840 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -2.0250 2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -0.5180 3.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 1.9620 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 1.9350 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 2.0840 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -3.1470 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -5.2940 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -5.2250 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -3.0790 -2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.6300 3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 0.7900 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 2.7560 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 3.5070 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 5.5090 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 4.9930 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8600 6.7710 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4840 5.8240 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8560 3.3000 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6660 3.7780 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4010 2.8440 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 1.9160 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 -0.5390 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -2.6720 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 -3.9820 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 -1.9150 3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -0.2950 4.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8820 3.5880 2.1480 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2980 3.6250 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END