PUBCHEM-ZINC04564869 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.9430 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -2.3970 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -2.0310 2.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -0.5790 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.1250 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -2.4920 3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 -2.0820 4.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -2.5340 6.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -3.4030 6.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -3.8820 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 -3.4280 3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 -4.0530 2.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 -4.7340 3.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0560 -4.6860 4.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -3.8420 7.3110 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9350 -4.8350 7.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -3.2110 7.7570 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1960 -2.0750 7.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -1.1400 7.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -0.7980 8.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -0.0920 9.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -2.4510 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -2.1880 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -1.9100 3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -3.4790 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.0710 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -0.3340 2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 0.9570 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -0.6120 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -1.3930 5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -2.3750 8.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -0.2290 6.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -1.5990 7.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -0.1730 8.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -1.7170 9.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 0.1580 10.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.4910 1.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 7 44 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END