IBS-ZINC04688244 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 0.0470 1.4570 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.0010 0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -0.6970 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -0.0040 2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -0.7020 3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -2.0910 3.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -2.7780 2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -2.0860 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -2.8260 0.0460 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8000 -3.8400 0.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -2.4210 -1.1030 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6320 -0.0080 4.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 -0.9370 4.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -0.1510 5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 0.9240 6.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 1.8140 5.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 0.9500 4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 1.1280 8.2120 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 1.7620 8.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 -0.1640 8.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 2.2660 8.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 1.7160 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 1.8210 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 1.9160 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -0.4780 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 1.0760 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -2.6350 3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -3.8580 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -1.4520 5.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 -1.6670 4.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 -0.8160 6.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 0.2800 5.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 2.4470 6.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 2.4330 5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 1.5880 3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 0.4090 5.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 3.2040 8.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 2.4580 9.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6310 1.8190 8.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 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 26 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END