NIH-ZINC00942852 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.0340 1.5250 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.0050 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.4660 -1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -1.8120 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -2.6700 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -4.0370 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -4.5530 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -3.7020 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -2.3300 -2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -1.4920 -3.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 -2.0950 -4.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 -1.0190 -5.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 0.1490 -5.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -1.3550 -6.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 -0.3610 -7.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 0.8850 -7.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8620 1.8630 -7.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 1.6040 -9.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 0.3640 -9.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -0.6210 -8.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 2.8550 -10.4500 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 2.5340 -11.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 4.0970 -9.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9300 2.6920 -10.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4230 1.5520 -11.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6620 1.5540 -11.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1640 0.4820 -12.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3760 -0.6520 -12.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 -0.6210 -11.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 0.4830 -11.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.9090 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.8790 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8760 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -0.3600 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -0.3890 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -2.2700 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -4.7050 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -5.6220 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -4.1070 -3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -2.6990 -4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -2.7290 -5.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -2.2850 -6.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 1.0880 -5.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1780 2.8330 -7.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 0.1640 -10.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.5900 -9.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 3.3950 -10.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1740 0.4900 -12.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7610 -1.5420 -12.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 -1.4870 -12.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 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 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 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 45 1 0 0 0 0 20 46 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 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 M END