OTAVA-ZINC01791601 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0410 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -2.7370 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -4.1180 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -4.8070 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -4.1060 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -2.7240 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -5.0410 -2.8510 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -6.1660 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -6.8210 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -8.3140 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -8.7720 -0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -9.1400 2.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -10.5130 1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -11.4350 2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -12.8050 2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -12.8810 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -11.2780 0.4030 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -14.1670 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -13.9910 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -14.8710 3.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -15.9740 4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -16.2060 5.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -15.3360 4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -14.2330 4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -11.0790 4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -10.9450 4.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -10.8990 4.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -10.5470 6.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -2.2000 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -4.6620 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -2.1780 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -6.5190 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -6.5430 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -8.7740 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -14.4920 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -14.0070 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -14.9340 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -14.6900 2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -16.6560 4.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -17.0700 5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -15.5220 5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -13.5570 4.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -10.4320 6.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -9.6090 6.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -11.3360 6.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 41 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 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 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END