NIH-ZINC04195290 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 60 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -0.5970 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -1.9510 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.8750 -2.5520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -1.7760 -3.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.1920 -2.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 0.5850 -3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 0.8760 -4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 2.0170 -5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 2.8800 -5.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 2.5810 -4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 1.4330 -3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 4.1040 -5.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 4.3620 -6.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 4.9340 -5.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 6.1180 -6.5270 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7920 6.4300 -6.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 5.8000 -7.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 5.3630 -7.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 6.4910 -6.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 6.8090 -5.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 7.2460 -5.7680 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5490 8.1350 -6.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 7.5640 -4.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 8.9160 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 9.9380 -4.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -0.5200 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 0.2030 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -2.7510 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -2.0410 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -2.0280 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 0.2080 -4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 2.2430 -5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 3.2440 -3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 1.1980 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 6.6890 -8.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 4.9970 -8.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5590 5.1360 -8.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 4.4740 -6.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 7.3800 -7.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 6.1790 -6.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 7.6120 -4.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 5.9200 -4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 6.7040 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 7.7900 -4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 9.0800 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 8.0290 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 9.7820 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 9.7940 -5.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 10.1390 -4.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 10.7820 -4.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 8.7250 -3.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 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 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 59 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 59 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 M END