PUBCHEM-ZINC04521718 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 62 0 0 0 0 0 0 0 0999 V2000 3.9770 3.1400 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 3.5480 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 4.0510 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 4.1360 -2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 3.7250 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 3.2460 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 2.8050 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 4.6750 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 5.8510 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 5.6320 -1.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 6.7680 -2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 7.8090 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 7.1630 -3.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 8.0990 -3.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 7.3010 -3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 5.4430 -2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 4.6490 -1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 3.8650 -1.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 3.0260 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 2.0190 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 2.6660 0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 1.7530 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 2.4840 1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 4.4850 -1.9700 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7400 4.4480 -1.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 4.8640 -3.1320 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8090 2.7250 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0610 3.4600 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 4.5140 -3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 3.7960 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 2.9550 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 1.7270 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 4.9870 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 4.3400 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 6.7640 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 5.9640 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 7.2070 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 6.3860 -3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 8.2880 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 8.5800 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 8.7320 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 8.7300 -4.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 7.9490 -3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 6.6660 -4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 4.7840 -3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 6.0450 -3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3290 5.3240 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 3.9890 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 3.6630 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 2.4760 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 1.2250 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 1.5840 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 0.9870 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 1.2570 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 3.0580 2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 1.7730 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 3.4780 0.6700 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7610 3.8570 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 6.3790 -2.5070 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7970 5.8210 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 6.9250 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 57 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 59 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 59 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 57 58 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 57 1 M CHG 1 59 1 M END