IBS-ZINC02394556 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -1.8880 1.9480 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 0.5450 1.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -0.2280 2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 0.3570 2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -0.4400 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -1.8300 3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -2.4060 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -1.6100 2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -2.1810 1.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -3.6020 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -2.3890 4.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -1.4460 4.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -1.6390 5.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -0.1390 4.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 1.0950 4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 2.2690 3.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 2.1920 2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 3.2660 1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 4.4840 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 5.6050 1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 6.7710 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 6.8690 3.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 5.8020 4.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 4.5840 3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 3.4600 4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1600 0.3680 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2220 3.7350 -0.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 2.4980 -0.2950 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8790 2.1120 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 2.4350 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 2.3660 2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 1.4280 2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -3.4760 2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -3.9270 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -4.0690 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -3.8940 2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -3.3390 4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 1.1980 5.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 1.2640 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 5.5450 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 7.6310 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 7.8040 4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 5.8920 5.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 3.5350 5.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 3.8120 6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 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 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 26 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 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END