IBS-ZINC01896822 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -3.8200 -5.0710 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -4.5470 -1.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -3.2210 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -2.4640 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -1.1160 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -0.5200 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -1.2690 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -2.6220 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -3.3620 -1.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 -0.2940 -0.3120 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2070 0.6800 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 -0.1220 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6580 -0.7040 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5380 -1.2330 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4240 -1.7980 0.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3050 -0.9940 0.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -1.3540 1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 -2.0170 2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -2.3710 4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -2.0670 4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -1.4060 3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -1.0550 2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -2.5210 6.0930 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -1.6430 6.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 -2.6480 6.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 -4.0370 5.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6490 -0.7650 -1.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 0.4850 -2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 0.4480 -3.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 1.1730 -2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 0.8970 -3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 1.5450 -4.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 2.4670 -3.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 2.7450 -2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 2.1090 -1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -6.1170 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -4.9950 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 -4.5010 -2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -2.9270 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 0.5340 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.8010 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -3.3900 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -2.2540 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 -2.8860 4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -1.1700 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -0.5440 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -4.4920 5.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -4.4690 6.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 0.9000 -4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 0.1780 -4.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 1.3330 -4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 2.9710 -3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 3.4640 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 2.3300 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 28 2 0 0 0 0 13 14 1 0 0 0 0 13 27 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 34 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 M END