NIH-ZINC02821419 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 0 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -1.9250 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -2.3390 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -3.8660 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 -4.2630 0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -5.8190 -0.3540 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2580 -5.8250 -0.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 -6.0740 -1.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -6.8190 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -8.2730 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -9.0600 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -10.3930 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 -10.9400 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 -10.1530 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5870 -8.8200 1.2780 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 0.5120 -0.3560 -0.8950 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 -0.9520 -2.3160 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -2.3260 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -1.9480 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -1.9380 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -4.2570 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -4.2670 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 -3.6140 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -6.6840 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 -6.5050 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -8.6330 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -11.0080 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -11.9810 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7860 -10.5800 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -8.2070 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 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 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 M END