CHEMBRIDGE-ZINC04551658 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.0630 1.2940 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -0.0990 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -0.7360 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 0.0880 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 1.4840 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 2.0890 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 3.5590 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 3.9650 -0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 4.3080 0.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 5.7170 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 6.2440 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 7.6290 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 8.4870 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 7.9880 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 6.5930 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 8.9280 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 8.4070 -0.5940 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0160 8.1640 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 7.3050 0.8590 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4750 -2.1630 0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -2.8790 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -2.4940 -1.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -4.3150 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -4.4240 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -3.0050 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.7320 1.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 1.7500 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -0.6570 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -0.3220 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 2.0700 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 3.8120 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 5.5810 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 9.5650 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 6.2200 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -4.9840 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -4.5180 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -4.8240 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -5.0400 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 10.1760 -0.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 9.4250 0.6460 O 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 39 2 0 0 0 0 18 19 1 0 0 0 0 18 40 2 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 17 -1 M CHG 1 19 -1 M END