IBS-ZINC04682436 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.0200 1.5030 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.6770 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -2.0580 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -2.0940 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -0.7120 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.1370 1.2900 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1730 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -4.9010 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -4.4540 2.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -6.3710 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -6.3660 -0.7980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8790 -6.8380 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -4.8940 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -4.4390 -2.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -7.5680 -2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -8.2530 -2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -7.5330 -3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 -8.1610 -3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -9.5080 -3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -10.2280 -3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -9.6010 -2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 -10.3080 -4.0700 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 -11.4500 -3.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2710 -9.2920 -4.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 -10.8780 -5.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 1.8630 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.8550 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 1.8800 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -0.1220 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -2.5830 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -2.6460 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -6.8460 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -6.8720 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -8.2850 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -6.7480 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -6.4800 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3970 -7.5980 -4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 -11.2810 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -10.1650 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5760 -11.6760 -5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5220 -10.4140 -6.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -7.0410 -1.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -7.7730 -0.5470 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 44 45 1 0 0 0 0 M END