NCID-ZINC04776055 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 1 0 0 0 0 0999 V2000 0.3530 2.7700 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.4900 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 0.4140 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 0.6770 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 1.9560 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 2.9970 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 4.3410 -1.1230 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0590 5.2370 -0.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 4.5030 -1.6860 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1540 -0.3660 -0.5270 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3090 -0.1160 -0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -1.4010 -1.1030 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4850 -1.1630 1.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -1.5240 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -2.6600 0.7460 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0600 -2.4060 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -2.8620 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 -2.0040 -0.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -4.0780 0.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -4.7380 -0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7700 -3.9920 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 -5.8970 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -5.6200 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 -5.8200 2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -5.4230 2.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 -5.4420 -1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -5.8740 -1.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -4.0040 0.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -4.6150 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -4.0370 -1.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -6.1380 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 3.5710 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 1.3480 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 2.1290 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.6270 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -1.7290 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -4.6320 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 -6.1520 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -6.8010 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 -4.6040 2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 -6.3070 2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -4.5580 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -6.5200 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -6.5320 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -6.3330 4.1270 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7260 -5.5420 -2.1970 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4060 -6.6640 -1.4320 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5400 -7.6760 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -6.3080 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -6.2610 -1.4640 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 13 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 34 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 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 31 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M CHG 1 45 -1 M CHG 1 46 -1 M CHG 1 47 1 M END