NIH-ZINC06530384 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0840 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7730 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0760 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.7720 -2.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -3.5970 -2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -4.0380 -4.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -3.5540 -4.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -2.7650 -3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -1.8700 -3.3250 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -2.3690 -4.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 -1.7060 -5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 -0.9680 -4.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -1.9320 -6.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 -1.3200 -6.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3030 -1.4690 -7.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4470 -0.8110 -7.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 -0.0710 -6.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -0.2550 -5.2330 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -3.9330 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -2.9640 -2.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -3.0670 -2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -3.9640 -1.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -2.0880 -2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8710 -2.1920 -2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 -1.2760 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5140 -0.2550 -3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 -0.1470 -3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -1.0530 -3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6260 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.8520 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1430 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -3.4520 -4.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -2.0660 -5.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 -2.5210 -6.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1610 -0.8670 -8.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 0.5380 -6.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -4.9350 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -3.8960 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -2.2480 -3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 -2.9890 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8340 -1.3550 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2700 0.4590 -3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 0.6520 -4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -0.9650 -3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M END