NIH-ZINC04399989 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 0.7510 0.9100 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.1740 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.4030 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -1.5280 -1.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 -2.1330 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 -1.7880 -1.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -3.3010 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -4.8400 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 -5.5260 -3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4370 -6.5270 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 -5.8060 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -5.1090 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7850 -7.2430 -2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9280 -8.3150 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1390 -8.9980 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2350 -8.6250 -2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1200 -7.5720 -3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9070 -6.8870 -3.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -7.5150 -2.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 1.0240 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 1.7070 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -0.9340 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -0.6220 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.4620 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -1.8440 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -2.8890 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -3.9490 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -5.5410 -3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -4.0750 -4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0980 -4.7530 -3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 -6.0420 -4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -5.0740 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -6.5160 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -4.5310 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -5.8160 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -8.6330 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2240 -9.8210 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1790 -9.1540 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9780 -7.2810 -3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8750 -6.0750 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 -8.2850 -3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -4.1470 -2.3770 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4730 -3.4530 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END