IBS-ZINC05027081 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.0470 1.4170 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.0620 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -0.9980 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -1.6130 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -1.7220 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -2.0520 -2.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -1.9380 -3.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -2.3530 -4.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -1.3910 -3.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -0.9030 -2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -0.4040 -2.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -0.4800 1.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -0.1170 2.4130 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5560 0.6290 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 0.4610 3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 1.7530 2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 2.9900 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 3.9150 2.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 4.8750 2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 3.2800 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 1.8970 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 0.9960 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 1.4610 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 2.8240 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 3.7320 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -1.3420 2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -2.4100 2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -1.2480 4.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -2.4690 4.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 1.7530 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.5490 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 2.0040 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.6480 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -0.1930 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -2.4600 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -1.3400 -4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -0.6880 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 -0.2510 3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 0.6480 4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 3.2210 3.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -0.0660 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5730 0.7630 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8600 3.1760 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 4.7900 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.2530 5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -3.2020 4.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.8680 3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 36 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 37 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END