PUBCHEM-ZINC06426467 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 59 0 0 1 0 0 0 0 0999 V2000 3.5580 0.3980 5.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -1.0420 4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -2.0080 5.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -3.3280 4.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -3.6850 3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -2.7120 3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 -1.3930 3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 -3.0880 1.8250 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6740 -2.2570 1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 -4.2290 1.4040 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6670 -5.0220 3.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -5.8560 3.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -5.4280 4.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -7.3210 3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -8.1720 4.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -9.8590 3.3780 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6950 -9.8230 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -10.5340 4.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -10.5440 5.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -11.9720 3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -10.6460 3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -10.9170 4.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -11.0470 2.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -11.7230 2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -11.0670 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -13.1990 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -10.8060 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -11.9850 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -9.5230 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 0.5930 5.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 1.0490 4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 0.5930 5.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -1.7300 6.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -4.0820 5.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 -0.6350 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 -5.3480 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -7.4380 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -7.7530 3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -9.9840 3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -11.1720 5.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -10.9390 6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -9.5270 5.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -11.9840 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -12.3770 3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -12.5810 4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -11.6420 3.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -11.2200 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -11.5160 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 -9.9990 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -13.5810 2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -13.7670 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -13.3020 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -10.7020 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -12.0790 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -11.8140 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -12.9020 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -8.7010 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -9.2910 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -9.6620 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 36 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 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END