NIH-ZINC04035573 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -3.8510 2.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -4.5830 3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -4.0300 4.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -6.0880 3.3380 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5730 -6.4120 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -6.5790 3.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -8.0720 3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -8.9170 4.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -10.2870 4.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -10.8120 2.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -9.9680 1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -8.5980 1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -6.6450 4.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 -8.0340 4.3470 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -8.2900 5.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -8.9660 3.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 -7.6770 3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 -7.2260 3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 -7.0170 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -7.2980 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -7.8670 1.5180 S 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 2.5600 -2.0380 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.0640 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -4.2930 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -6.3320 4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -6.0950 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -8.5060 5.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -10.9460 4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -11.8830 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -10.3790 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -7.9390 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -6.2000 5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4430 -7.0380 4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1010 -6.6540 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 -7.1950 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 M END