PUBCHEM-ZINC04701094 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 0.2100 1.6940 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 0.5020 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -0.4940 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -0.1690 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -0.2090 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -0.8230 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -1.3990 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -1.3690 0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -0.7600 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 -2.0370 0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 -3.3400 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -4.4820 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -4.3600 1.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7810 -5.6450 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 -6.9270 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 -7.2230 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 -8.5160 2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2230 -9.5190 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 -9.2340 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 -7.9390 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 -7.6310 -1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 -6.4190 -2.0240 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.3590 -1.1500 0.8580 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.3410 -2.0750 1.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 -0.0670 1.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0810 -0.4200 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.2170 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 2.4130 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 1.3850 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 0.8950 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -0.8940 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -1.3410 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -0.0130 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 0.2400 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -0.8540 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -1.8280 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -0.7530 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3440 -3.3390 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 -3.5390 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1500 -5.6350 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 -6.4640 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 -8.7370 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 -10.5240 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0350 -10.0250 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3850 -1.2070 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9600 0.1480 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 0.2560 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3760 -8.5770 -2.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 2 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M CHG 1 22 -1 M END