PUBCHEM-ZINC00669024 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -1.2530 1.1960 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -0.1500 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -0.8480 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -2.0870 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.6260 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -1.9290 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.6910 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0140 -2.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.6490 -3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -1.8640 -3.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 0.1020 -4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.5820 -6.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 0.1250 -7.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.5090 -7.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 2.1920 -6.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 1.4980 -4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 2.2740 -8.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 2.5040 -9.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 3.7020 -9.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 3.4860 -9.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 2.1100 -9.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 1.5200 -9.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 4.5230 -10.2720 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3800 5.6950 -10.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8240 4.2040 -10.6490 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1080 -2.7740 2.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -4.0440 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.9770 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 1.3530 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 1.2310 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -0.4300 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -3.5910 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -2.3480 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.9790 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -1.6610 -6.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -0.4020 -8.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 3.2720 -6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 2.0320 -3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 3.2320 -8.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 1.6990 -9.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 4.6600 -9.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 1.6190 -10.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -4.4840 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -4.7040 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -3.9120 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END