NIH-ZINC01061586 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -1.0420 -4.8790 -3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -4.0930 -5.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -4.7120 -6.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -3.9930 -7.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -2.6510 -7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -2.0260 -6.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -2.7450 -5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -2.1140 -4.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -0.5380 -3.7590 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.2420 -2.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 0.2020 -4.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -0.4640 -3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 0.2590 -3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 0.3170 -3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -0.3570 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 -1.0750 -1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -1.1340 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -1.9260 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 1.0900 -4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3320 1.6760 -5.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9660 1.1440 -3.9500 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9440 1.9090 -4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2970 1.8090 -4.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7800 2.6450 -3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0740 2.1820 -2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3040 1.0920 -3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2260 0.8740 -4.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -5.3150 -4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -4.2160 -2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -5.6740 -3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 -5.7600 -5.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -4.4790 -7.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -2.0920 -8.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -0.9780 -6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -2.6000 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 0.7780 -4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -0.3160 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 -1.5970 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -1.2620 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -2.7030 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -2.3860 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2440 0.6760 -3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6370 2.9540 -4.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0000 1.5060 -5.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2770 3.5030 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7490 2.6200 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2040 0.4950 -3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 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 36 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 M END