CHEMBRIDGE-ZINC02779481 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 -0.5210 0.5320 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -0.9120 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -1.6420 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -1.6220 -0.1430 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4010 -2.6730 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -1.5110 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -0.9650 1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -2.0180 2.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -1.8760 3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -0.9960 -1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -1.3810 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -2.2490 -2.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -0.7500 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -0.7360 -3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -0.1450 -4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 0.4340 -5.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 0.4230 -5.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -0.1600 -4.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -0.1650 -4.6430 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2340 0.2380 -5.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -0.5710 -3.6430 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6050 1.0660 -6.9920 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.8220 1.0760 -7.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 1.5750 -7.8840 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4270 1.0380 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 1.0520 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 0.5350 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -0.9150 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -1.6390 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -2.6700 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -1.1360 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -2.3280 4.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -0.8180 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -2.3740 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -0.3040 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 -1.1880 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 -0.1330 -4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 0.8760 -6.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 22 1 M CHG 1 24 -1 M END