IBS-ZINC02156687 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.7710 1.2560 2.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 0.2410 1.5290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1890 0.7890 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -0.5200 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -1.3910 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -2.1230 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -1.5210 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -2.1950 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3520 -3.4750 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -4.0800 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -3.4070 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.6730 1.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -0.4150 1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 0.5870 1.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -1.4060 2.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -1.4270 2.1680 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4650 -0.9900 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 -0.6830 3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 0.8240 3.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4390 1.6570 4.6540 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 3.3580 4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 -2.8920 2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -3.7150 2.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 1.8190 2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 1.9750 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 0.7600 3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -1.1450 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 0.2000 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -0.7720 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.1210 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -0.5220 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8990 -1.7210 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 -3.9990 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 -5.0760 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -3.8920 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -1.5250 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -2.2470 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3670 -1.0930 4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 -0.8680 3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 1.2350 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 1.0460 3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 3.6470 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 3.4650 4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 4.0300 5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 -3.0820 1.9060 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 M CHG 1 45 -1 M END