NIH-ZINC03958206 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.0150 1.3760 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0060 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.6810 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0260 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4080 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0830 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -0.7100 -0.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5550 -1.7290 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -0.7450 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -0.2440 1.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -1.3320 2.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 -1.4580 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -2.1570 4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 -2.2740 5.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -1.6860 6.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 -1.0060 5.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 -0.9150 3.8600 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -0.0230 -0.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 -0.5180 -2.5040 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 0.3580 -3.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 -1.9290 -2.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -0.2170 -3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 0.6900 -4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 0.9540 -4.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 0.3150 -4.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -0.6480 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -0.9270 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -1.8490 -1.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -2.2960 -1.9500 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -1.3910 -3.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.9040 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.5590 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -1.7610 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 1.9600 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 3.1630 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 -1.6660 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -2.6020 4.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -2.8120 6.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -1.7590 7.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8860 -0.5460 5.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 0.7220 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 1.2220 -4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 1.6850 -5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 0.5380 -5.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M END