NCID-ZINC05439578 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.8310 1.1180 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -0.0630 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -0.4210 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 0.2770 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -0.4100 3.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -0.0510 4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -0.7040 5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -0.2590 6.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 0.7250 7.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.2780 6.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.9590 5.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 -1.0240 6.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -1.9140 5.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -1.7420 4.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -0.8830 8.2750 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6220 0.1510 8.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -1.8660 9.3490 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3810 -1.6000 9.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 -1.8420 10.3160 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2830 -1.2390 11.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 -1.2120 9.5030 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8200 -0.1780 9.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 -1.0910 8.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -1.9450 9.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8760 -1.5960 10.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 -1.6510 12.0960 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.5210 -0.3670 12.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -3.2040 10.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -3.1480 11.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -3.2110 8.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -3.7260 9.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -0.8690 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 1.6180 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 1.8570 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 0.7980 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.3080 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.2330 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 1.3350 2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -1.1670 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 2.0880 6.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -2.6530 6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5440 -1.6880 8.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8860 -3.0320 9.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -0.2410 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -1.7160 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -1.2690 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5880 -1.7200 12.9400 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.4570 -2.9080 12.1200 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 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 30 31 1 0 0 0 0 32 44 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 -1 M END