NIH-ZINC00630817 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1390 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -1.8690 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -2.6250 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0030 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -4.3840 2.2260 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -4.8470 0.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -4.7070 3.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -4.8980 3.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -4.6800 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -5.5400 3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -5.0460 4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -5.8270 5.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 -7.1180 4.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -7.6100 3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -6.8170 2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 -7.9610 5.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 -7.5300 6.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 -9.2080 4.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3430 -10.0430 5.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 -11.3790 4.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -12.4690 5.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 -13.4890 4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1270 -12.9620 3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3120 -11.6860 3.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2170 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1010 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -2.3570 3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -2.5950 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -5.3420 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -3.6310 2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -4.9460 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -4.0460 4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 -5.4400 5.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 -8.6090 3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -7.1950 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 -9.5520 4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -10.1910 6.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3160 -9.5510 5.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -12.5480 5.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7660 -14.4980 4.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6740 -13.4790 2.7160 H 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 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 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 M END