IBS-ZINC04772812 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.0140 1.6570 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 0.1310 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 0.1910 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 1.7140 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 3.5790 1.5250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2240 4.1490 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 4.0580 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 5.6370 2.5630 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 5.7250 3.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 6.6450 1.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 5.3750 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 3.9550 2.8390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6200 3.8810 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 3.0380 3.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 2.1730 3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -1.8900 -0.3620 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2940 -2.2750 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -2.3030 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -3.9470 -1.4260 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -4.8850 -0.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -3.9580 -2.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -3.9540 -1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -2.4980 -1.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6920 -1.9600 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -2.4430 -0.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -2.9180 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 1.9010 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 2.1600 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -0.1100 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -0.4010 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -0.3140 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -0.0590 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 2.1980 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 2.0190 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 3.3990 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 4.1880 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 5.5270 4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 6.1050 2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -2.3250 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -1.6680 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -4.5810 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -4.3690 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -0.3560 -0.2710 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7280 0.0520 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 2.1160 1.2760 N 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 45 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 43 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 45 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 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 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 43 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END