NIH-ZINC04093296 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.4200 1.2890 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -0.1220 -0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -0.5870 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -1.9780 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -2.5880 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -1.8150 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 -0.4180 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 0.1910 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -2.5040 0.0490 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7660 -3.5890 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -2.1450 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 -2.8400 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1740 -2.8600 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7920 -2.2010 -1.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9220 -1.1210 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 -2.7150 -2.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -2.2920 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2940 -3.0500 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1800 -2.4290 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6310 -1.1100 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4410 -0.5670 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7780 -1.3640 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3670 -2.6420 3.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5840 -3.1450 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 1.4900 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 1.7190 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 1.7600 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -2.5930 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -3.6740 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 0.2220 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 1.2750 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 -2.4280 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 -1.0600 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 -3.9310 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6280 -2.5070 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8000 -2.5410 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 -3.9540 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1950 -4.1330 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7370 -2.8780 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3710 -0.4980 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8040 0.4530 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4090 -0.9870 3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2820 -4.1770 2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8850 -2.4720 0.1630 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.9980 -1.4500 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 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 44 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END