IBS-ZINC04312189 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 2.2150 -1.7930 -2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -1.6400 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -2.5000 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.3590 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -1.3500 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -0.4850 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -0.6190 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 0.3070 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 1.6670 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 2.3620 -1.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3130 2.1390 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 3.8000 -1.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 3.9910 -2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 5.0730 -3.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 2.6820 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 2.5190 -4.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 4.8580 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 5.1420 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 6.1000 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 6.3280 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 5.5980 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 4.6960 0.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 4.4560 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 1.9170 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 1.1650 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 0.7570 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 1.0990 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 1.8500 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 2.2540 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -0.1730 -3.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -3.2090 1.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -3.0080 2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -2.5260 -3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -0.8340 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -2.1300 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -3.2850 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -1.2450 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 0.2980 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 5.7620 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 4.5350 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 6.6540 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 7.0660 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 5.7700 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 3.7130 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 0.8980 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 0.1700 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 0.7800 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 2.1170 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 2.8380 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 0.5100 -4.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -3.1080 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -3.7540 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -2.0110 3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 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 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END