IBS-ZINC02345411 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.3670 0.7070 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.5670 -1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -0.8920 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 0.0560 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 1.3440 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 1.6570 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 2.4110 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 3.1360 -1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 3.9290 -2.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 2.7940 -2.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 3.4610 -3.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 4.0280 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0620 4.5410 -4.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 4.1130 -2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 4.7600 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 5.1850 -3.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3330 4.7980 -1.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5830 5.3240 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4760 5.9160 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6970 6.4160 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0300 6.3270 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1430 5.7370 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9100 5.2280 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9460 4.5890 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8530 4.1420 1.1920 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9940 -0.4240 -1.6770 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 0.9660 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -1.3050 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -1.8880 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 2.6500 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 3.1640 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 1.9840 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 2.0680 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 3.5650 -4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 3.7250 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 4.9150 -4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 4.3940 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2450 6.0010 -2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3890 6.8760 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9800 6.7170 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4080 5.6720 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2850 4.5430 2.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 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 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 42 2 0 0 0 0 M CHG 1 25 -1 M END