CHEMBRIDGE-ZINC04850760 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 0.1010 1.4200 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.0870 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -0.6330 -0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9420 -0.2620 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -2.1700 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -2.5250 1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -3.4950 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 0.0000 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 0.3120 2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 1.6420 2.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 1.9360 4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 0.9090 4.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 -0.4180 4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 -0.7220 3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 -1.5040 5.4720 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9780 -1.2010 6.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -2.6600 5.1240 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1460 1.7410 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 1.7040 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 1.9730 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -0.5680 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -0.3420 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -2.5670 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -2.6230 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -0.9240 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 0.8080 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 2.4660 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 2.9710 4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 1.1620 5.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 -1.7580 3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -0.1720 1.1880 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9240 -0.9510 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 0.6660 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 31 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 31 1 M END