CHEMBRIDGE-ZINC03109311 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 0.3890 1.0440 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -0.3340 0.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -0.7790 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 0.0440 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -0.4890 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -1.8700 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -2.6990 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -2.1610 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 -4.1360 -0.3000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7230 -4.5440 -0.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -4.8520 -0.1190 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6620 0.4130 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5450 1.2650 -1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0720 1.3890 -2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 2.2120 -3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 1.6010 -3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 1.4690 -2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6900 2.2920 -5.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9290 3.2420 -6.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 2.7540 -7.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 3.6350 -7.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 5.0100 -7.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3150 5.5080 -6.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 4.6290 -5.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 1.2050 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 1.6690 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 1.3350 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 1.1160 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 -2.2930 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -0.0490 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 1.3950 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 2.2400 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1910 0.6050 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2100 0.3880 -3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0620 1.8600 -2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 3.2270 -3.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 0.6120 -4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 2.2210 -4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 0.9510 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 2.4460 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7080 1.2900 -5.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 2.6230 -5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 1.6850 -7.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 3.2490 -8.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 5.6950 -8.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 6.5810 -6.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6620 5.0330 -5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -2.9320 0.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1620 0.6530 -1.4440 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2440 -0.2710 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -3.8810 0.2040 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 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 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 48 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 48 51 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 49 1 M END