IBS-ZINC05345707 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 1.1300 1.3450 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -0.1110 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -1.0660 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -2.4000 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -2.7860 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -1.8160 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -0.4860 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 0.5430 1.4570 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8090 0.3160 2.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 1.6170 0.9950 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1480 -4.2120 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -4.8890 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -6.2760 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -6.3340 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -5.1000 0.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -4.7800 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 -5.4970 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -3.2680 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -5.2390 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -7.1810 -0.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -6.7780 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -7.5950 -1.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -5.5250 -1.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -4.5510 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -3.4220 -1.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -5.2000 -2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -8.5740 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 1.7840 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 1.8700 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 1.4350 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -0.7670 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -3.1450 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -2.1070 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -7.2150 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -5.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -5.2590 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -6.5740 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.7540 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -3.0220 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -2.9530 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -6.3250 3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -4.9220 3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -4.7960 3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -6.0910 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -4.4220 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -4.8450 -3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 -8.6750 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -9.2200 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -8.8630 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END