CHEMBRIDGE-ZINC04989457 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 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 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1370 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4900 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -2.6300 2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0080 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -4.1070 2.2240 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9440 -4.6540 3.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -4.7760 1.3420 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4720 0.3340 4.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 1.5720 6.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 1.9350 7.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 0.6960 7.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.3980 6.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -0.6700 5.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 0.5650 9.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.4650 9.6060 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 1.2150 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -2.3560 3.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -0.2060 4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 1.2850 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 2.4660 5.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 1.1520 6.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 2.5810 7.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 2.4490 6.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -1.2960 7.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.1090 6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -1.0590 6.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -1.4020 5.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 1.3770 9.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.7540 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 0.5810 5.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -2.9610 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 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 23 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 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 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 36 38 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END