CHEMBRIDGE-ZINC04978638 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 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 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1590 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4560 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -1.8360 -3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.6060 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.9960 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -4.0830 -2.2910 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8800 -4.6190 -3.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -4.7620 -1.4070 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3920 0.3790 -4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 1.6650 -4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 1.9910 -4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 -0.2420 -3.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -0.5680 -3.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9990 1.0440 -4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 -0.1840 -4.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 -0.1110 -5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7040 -1.3150 -5.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8110 -1.2420 -6.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5710 -2.3690 -6.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2360 -3.5700 -5.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 -3.6500 -5.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 -2.5280 -4.8130 C 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 1.1260 1.2370 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -2.3120 -4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -0.1650 -5.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 1.3160 -4.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 2.5710 -4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 1.2690 -5.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 2.7120 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 2.4120 -3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 0.1540 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -1.1480 -3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 -0.9890 -4.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 -1.2890 -3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0800 1.3210 -3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3570 1.8660 -4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 -1.1220 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1440 0.8280 -5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0740 -0.3050 -6.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4290 -2.3140 -7.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8340 -4.4500 -6.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8820 -4.5900 -4.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5210 -2.5900 -4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.7520 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 0.6630 -3.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 0.7600 -4.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -2.9830 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 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 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 50 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 51 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 52 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 52 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 50 53 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END