NIH-ZINC03045419 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.7140 1.4740 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 0.0140 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.8550 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.7070 2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -1.8520 3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -3.1070 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -3.2620 1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -2.1200 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -2.0870 -0.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -0.7980 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -0.4010 -2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 0.8350 -2.5140 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4320 -1.7020 5.2460 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -2.9900 5.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -0.5050 5.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -1.4120 5.6660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -2.3890 5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -2.1930 6.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -1.7540 5.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8390 -1.5790 6.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 -1.8400 7.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 -2.2710 8.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -2.4470 7.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -1.6740 8.1090 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 2.0340 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 1.7000 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 1.8400 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 0.2640 3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -3.9810 3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -4.2230 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -0.4300 5.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -2.2770 4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -3.4130 5.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -1.5470 4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 -1.2420 5.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -2.4670 9.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -2.7800 7.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -1.3260 -3.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 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 38 2 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 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 12 -1 M END