PUBCHEM-ZINC00824560 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -1.5760 -0.2840 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 0.1000 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 1.6160 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -0.4210 0.8260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9240 0.0550 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 0.0630 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 1.4240 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 1.9440 3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 1.1120 4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.2650 4.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -0.8080 3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -2.2180 3.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -2.6870 1.8050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6600 -2.4140 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -1.9790 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -2.2330 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -2.5440 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -4.1300 1.6600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -4.9800 2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -6.3680 2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -7.2500 3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -6.7540 4.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -5.3770 4.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -4.5020 3.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -3.0470 4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -2.6580 5.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -1.0590 5.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -1.9790 5.3570 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7760 0.0070 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 0.2110 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -1.3560 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.3280 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 2.1900 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 1.9510 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 1.8700 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 2.1020 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 3.0000 4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 1.5330 5.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 -1.8070 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -3.3040 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -1.7810 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -1.9410 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -3.5640 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -2.5810 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -4.5260 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -6.7770 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -8.3230 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -7.4330 5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -4.9860 5.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.6900 6.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 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 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 27 50 2 0 0 0 0 M CHG 1 28 -1 M END