CHEMBRIDGE-ZINC04954544 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1840 3.9410 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 4.1140 -1.4080 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3460 3.7600 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 3.6150 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 4.1400 -3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 5.6700 -3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 6.1680 -2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 5.6450 -1.3900 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4630 6.1390 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 5.5590 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 6.1090 -0.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 2.5260 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 3.9790 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 3.7730 -4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 3.7880 -4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 6.0390 -4.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 6.0370 -3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 5.8040 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 7.2580 -2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 5.8100 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 7.2280 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 5.8940 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 5.9020 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 7.0730 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 4.0920 0.8920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 3.6880 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 39 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END