IBS-ZINC05347437 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3740 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 1.2150 -0.6950 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0180 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4040 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 2.0810 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 3.5610 0.0120 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0920 4.1570 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 4.1820 0.0060 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7440 -0.6680 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -2.1350 0.3460 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4930 -2.6840 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -2.7200 -0.4480 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5550 -2.5260 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -2.0870 -0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.5870 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -4.0920 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -4.8040 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -4.2300 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -2.2270 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -2.7330 2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9570 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -0.6120 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -0.1730 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -2.0750 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -2.3990 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -4.2790 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -4.4680 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -5.8710 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -4.6500 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -4.6990 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -4.4240 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -1.7470 2.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -1.8290 3.6460 H 0 0 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END