CHEMBRIDGE-ZINC04661290 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.0630 1.3850 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -0.1260 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.6320 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 0.1400 0.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -1.9420 0.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -2.4010 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -1.6450 0.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 -2.2100 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -3.6480 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -4.0830 0.8630 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -4.5210 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 -5.9580 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6310 -6.6360 0.6570 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.3250 -5.0620 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4130 -4.1360 0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6500 -4.8390 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5300 -5.9150 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8180 -5.8130 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6870 -6.8810 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2780 -8.0510 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9980 -8.1570 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1250 -7.0910 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2120 -9.1940 -0.3370 N 0 3 0 0 0 0 0 0 0 0 0 0 -14.4310 -9.0960 0.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8250 -10.3100 -0.9210 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.3880 -1.4560 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 1.7510 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 1.6010 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 1.8800 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -0.6200 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -0.3420 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -2.5600 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 -6.4980 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9800 -3.9320 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1380 -4.9000 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6870 -6.8020 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6820 -9.0720 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1270 -7.1730 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 -1.4360 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2310 -1.9520 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 -0.4360 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END