IBS-ZINC05164458 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.8780 1.0460 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.3780 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -1.2010 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -2.4810 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -2.3610 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -1.0760 -1.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -3.3360 -1.8270 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1930 -4.3260 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -3.4260 -2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -3.1070 -3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -2.7900 -4.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -2.4640 -5.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -2.9500 -2.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -2.7760 -2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -1.3010 -2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -1.1560 -2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 1.1380 -3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 0.4220 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -3.0700 -5.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -3.7250 -2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -3.1550 -2.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -4.6970 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -4.3730 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 -5.2980 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -6.4950 1.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -6.7880 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -5.9310 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 1.1510 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 1.5800 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 1.5250 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.9150 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -3.3830 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -3.2370 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -3.3220 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -0.8320 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -0.7760 -3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -1.5240 -3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5330 -1.7040 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 0.7140 -4.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 1.1450 -3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7770 2.1580 -3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9820 -0.1250 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6940 0.0030 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 1.4810 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -2.7800 -5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -3.4300 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 -5.0990 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -7.7690 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -6.2380 -1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 0.2970 -2.0510 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9390 0.6870 -1.3590 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 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 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 50 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 50 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 50 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END