NIH-ZINC04039387 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 -0.7450 1.6690 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 1.0830 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -0.1290 0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -0.7730 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -0.3810 2.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -1.9700 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 -2.9400 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -3.8830 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 -3.5010 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -2.3470 -0.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -1.8250 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 -4.1100 -2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -5.0430 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9970 -4.8900 0.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.4850 -6.1400 0.8970 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6610 -6.8480 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4500 -6.8100 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7560 -6.0840 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5570 -6.3430 -1.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9100 -4.8570 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9700 -3.9790 -1.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0190 -8.1230 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4750 -8.0470 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3040 -9.3130 1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2760 -10.2670 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0940 -5.7930 2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5860 -6.3800 3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1660 -6.0570 4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2020 -5.2050 4.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6770 -4.6420 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1680 -4.9010 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 -6.1020 -0.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 -2.9790 2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 2.5990 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.9600 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 1.8730 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 0.8620 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 1.7930 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -4.3130 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -3.4490 -3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -5.0530 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9670 -8.6920 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3870 -8.6310 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5320 -7.4650 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1320 -7.5810 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0560 -8.7800 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0650 -8.7710 2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6390 -10.3240 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3140 -10.4510 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9590 -9.7340 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7070 -11.2190 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7510 -7.0730 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8000 -6.4900 5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5080 -3.9560 3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6120 -4.4090 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1420 -3.9660 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -2.3190 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -3.9930 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -2.6650 2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0420 -9.4230 1.1080 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.3610 -9.9200 1.6980 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 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 32 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 60 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 60 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END