NIH-ZINC00456872 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8460 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -2.6790 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -4.0490 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -4.6040 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -3.7910 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -2.4020 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -1.5270 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 -0.3180 0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -2.0660 0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 -1.1970 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6520 -2.0550 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8640 -1.1610 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4380 -0.7430 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5500 0.0770 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0890 0.4800 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5160 0.0620 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4070 -0.7620 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5060 1.5270 0.1840 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.4880 2.1950 1.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5230 2.2110 -1.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8400 0.5450 0.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -2.2540 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -4.6940 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -5.6770 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -4.2280 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3150 -3.0300 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 -0.5730 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 -0.5620 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6770 -2.6790 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6520 -2.6900 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0160 -1.0580 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9980 0.4040 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9380 0.3770 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9620 -1.0920 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6560 0.8410 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8060 -0.3250 -0.2300 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 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 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 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 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 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END