IFLAB-ZINC02687067 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.1100 1.5350 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 0.0650 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.3430 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -1.6910 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.6300 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -2.2220 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -0.8740 -1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -4.3480 0.1030 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -5.0200 -0.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -4.4650 1.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -4.8170 0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -4.6820 -1.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -5.1640 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 -6.0090 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -6.0170 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2900 -5.1900 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6330 -4.9340 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3860 -4.1530 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8210 -3.6190 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4930 -3.8640 -2.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -4.6500 -1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -4.9000 -2.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 -3.3350 -3.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 -2.5360 -4.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -6.8070 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -7.7740 0.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -6.4660 2.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 1.8820 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 1.6950 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 2.0900 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 0.3910 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -2.0100 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -2.9560 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.5550 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -5.1850 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 -6.6110 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0780 -5.3480 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4230 -3.9560 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4210 -3.0070 -3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6480 -3.1360 -4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 -1.6850 -4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 -2.1770 -5.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -5.6540 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -7.0330 2.7200 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END