CHEMBRIDGE-ZINC02870850 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 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 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -0.9400 -1.4230 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1970 -0.4740 -1.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 0.2820 -0.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 0.7560 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9800 1.5020 -0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 2.0190 -1.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9420 2.6850 -0.3900 N 0 3 0 0 0 0 0 0 0 0 0 0 9.5600 2.9370 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6080 2.3640 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6800 3.1420 2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6410 2.6170 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5290 1.3140 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4570 0.5360 3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4930 1.0630 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1600 3.2020 -0.8950 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2990 -1.6960 -2.2900 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 1.2230 -1.7590 -0.0180 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 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8150 -0.0930 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9760 1.3960 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4790 4.0110 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5990 2.4640 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7670 4.1600 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4790 3.2240 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2800 0.9030 4.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3700 -0.4820 3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6540 0.4570 2.0680 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 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 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 8 1 M CHG 1 14 1 M CHG 1 22 -1 M CHG 1 23 -1 M END