NIH-ZINC00245603 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.0700 1.5810 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 1.0250 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 3.4490 0.4920 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5340 3.4840 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 4.3100 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 4.1840 -0.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 3.0070 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 1.9370 -0.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 3.0620 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 1.8630 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3300 1.8110 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0730 2.9530 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4280 4.1500 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 4.2190 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 5.3630 -0.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 6.5090 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 4.0040 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 4.5100 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 5.0060 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 4.9820 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 4.5040 2.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 4.0310 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 0.5630 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 1.6200 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 2.2600 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 1.1140 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.0090 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 1.2860 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 5.3740 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 4.0780 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 5.0280 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 0.9600 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8320 0.8800 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1590 2.9160 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0570 5.0130 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7010 6.8750 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 6.3020 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3790 7.2990 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 4.5290 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 5.4050 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 5.3580 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 3.6640 2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 1.9670 0.0800 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8510 1.8080 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 43 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 43 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END