IBS-ZINC06660738 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.1020 0.9940 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 0.7490 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 0.2340 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -0.0340 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 0.2050 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 0.7210 1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -0.5660 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 0.1330 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2680 -0.4850 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4920 -1.6580 0.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 0.4450 -0.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 1.7110 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 2.6600 -1.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 1.7900 -0.3480 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5980 0.1040 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9050 -0.2920 -2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3870 -0.5520 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 -0.5300 -1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8230 -0.7940 -3.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2540 -0.9660 -3.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5390 -2.2430 -4.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7180 -2.3000 -5.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2290 -2.1320 -5.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9700 -0.8630 -4.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9440 -3.5850 -6.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8830 -4.3360 -6.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 1.3990 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 0.9600 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 0.0480 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 0.0000 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 0.9120 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -1.6130 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 0.9740 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 -0.7170 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3470 -1.1980 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 0.5160 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5870 -0.0900 -4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8230 -0.9770 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6110 -2.2940 -4.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3040 -3.1130 -3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0320 -1.4680 -6.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6290 -2.0940 -6.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8790 -3.0040 -4.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 -0.8170 -4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1950 0.0240 -5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1780 -3.7230 -7.6430 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 M CHG 1 46 -1 M END