CHEMBRIDGE-ZINC04818916 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.4500 1.4220 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 0.9730 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 3.1610 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 3.4510 2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 4.8830 2.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 5.7330 1.7660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7540 5.4940 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 7.1930 2.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3980 7.0150 3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 5.5740 3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 5.1530 4.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 7.8930 3.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 7.8170 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 7.0860 0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 9.2520 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 9.9360 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 11.3360 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 11.6840 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 10.3270 1.6740 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 5.4680 2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 5.2790 3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 5.0720 3.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9330 5.0530 3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6200 5.2450 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 5.4550 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6920 5.2220 0.6650 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.8660 5.2170 1.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3530 5.1980 -0.5270 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5270 0.3410 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 1.8750 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 1.8700 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 1.4420 2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -0.0820 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 1.0560 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 3.6020 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 3.5790 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 3.0570 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 2.9810 3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 7.7800 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 9.4510 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 12.0520 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 12.6710 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 5.2900 4.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1450 4.9290 5.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9560 4.8890 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 5.6120 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 1.6720 0.9830 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2840 1.2430 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 47 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 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 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M CHG 1 47 1 M END