PUBCHEM-ZINC01973785 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 0.6390 2.4170 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 0.9600 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 0.6980 -1.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.5500 -1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -1.3960 -1.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -0.8860 -3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -0.7460 -4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -1.1150 -5.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -1.6490 -4.5360 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -1.3610 -2.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 -1.5810 -1.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 -2.0520 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -2.2840 -2.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -2.2860 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1970 -2.8620 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7020 -3.4190 -2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -2.9560 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -1.0780 -6.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -0.2480 -4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 0.9560 -5.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 1.4140 -5.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 0.6830 -5.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -0.5110 -4.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -0.9830 -4.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 1.1810 -5.5940 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9310 2.2320 -6.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 0.5390 -5.2570 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6910 2.5990 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 3.0770 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 2.6140 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 0.3000 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.7780 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -1.3970 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 -1.9910 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1620 -2.6210 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 -4.1960 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8690 -3.8440 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8300 -3.8870 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1020 -2.9360 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 -2.1120 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -0.1080 -7.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -1.8640 -7.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -1.2370 -6.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 1.5270 -5.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 2.3460 -6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -1.0770 -4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -1.9180 -3.7710 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 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 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END