CHEMBRIDGE-ZINC01737758 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 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 3 0 0 0 0 0 0 0 0 0 1.4190 -1.7110 3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -3.7480 2.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -4.2650 4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -3.9560 5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -4.4300 6.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -5.2130 6.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -5.5220 5.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -5.0520 4.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -6.3600 5.1700 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9960 -6.7770 6.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 -6.6330 4.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2830 -2.5930 2.1300 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -0.8610 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 0.2260 1.7740 N 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 -0.1530 -3.6400 3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -4.4510 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -3.3440 5.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -4.1880 7.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 -5.5830 7.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -5.2970 3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 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 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 3 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END