IFLAB-ZINC05147948 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 0.4380 1.3640 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.0580 -0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -0.7340 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -2.0700 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -2.8680 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -4.0730 0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -2.1280 -1.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -2.6270 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -0.7690 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -0.2650 -2.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -2.3550 2.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -1.2080 3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -0.1960 2.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -1.1120 4.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 0.0900 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.2750 6.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -2.4080 6.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -2.0280 5.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -3.6190 3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -3.7370 3.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -4.7290 2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -4.8500 2.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 -3.9820 3.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 -2.9910 4.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -2.8720 4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 -1.8870 5.2870 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 -4.1870 3.6070 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 1.5380 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 1.7480 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 1.8990 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.7630 5.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 0.6390 4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 0.6130 7.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -0.8310 6.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -2.9950 6.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -2.9590 7.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -2.9280 4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -1.5170 5.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -4.4260 2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -3.7170 4.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 -5.4160 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 -5.6260 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -2.0950 4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -1.1650 7.3940 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6420 -0.6380 7.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -1.4310 8.3070 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 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 44 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 44 1 M END