NIH-ZINC02870544 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.5480 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -4.0120 2.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -4.6840 3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -4.0750 4.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -6.1910 3.4580 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1230 -6.5680 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -6.6840 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -6.6760 4.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -8.0700 5.3900 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -8.2850 6.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -7.9610 5.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -9.3910 4.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -10.0630 4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 -11.0990 3.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 -11.4640 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -10.7870 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -9.7560 3.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 -12.4820 1.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -12.8020 0.7090 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -2.1700 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -2.1960 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -4.4990 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -6.3070 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -7.7740 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 -6.3230 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -6.1800 4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -9.7780 4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 -11.6240 3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -11.0690 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -9.2320 3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -13.6300 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -13.0890 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -11.9330 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 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 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 M END