NCID-ZINC04776054 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 1 0 0 0 0 0999 V2000 1.2480 0.6370 -2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -0.4550 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -0.2990 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 0.9840 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 2.0930 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 1.9050 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 3.0430 -2.8990 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3590 2.8190 -4.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 4.1610 -2.4370 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4730 1.2120 1.5700 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6760 1.4440 1.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 1.2020 2.4440 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7410 -1.7530 0.8140 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -1.8690 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -2.4760 0.3520 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0840 -1.7840 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 -2.6950 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -2.0940 1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -3.5640 0.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -4.1610 0.3680 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0750 -3.3980 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 -4.7350 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 -3.8720 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -3.9210 -2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -3.6250 -4.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -5.4070 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -6.1020 1.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -3.7750 -0.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -4.8470 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -4.7840 1.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -6.1960 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 0.4720 -3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -1.4360 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 3.0720 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.4560 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -0.8690 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -3.8860 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -5.7260 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 -4.8970 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -4.2040 -2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 -2.8240 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -3.9030 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -6.1240 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -6.7250 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -4.2010 -2.0990 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.3350 -5.6170 2.0370 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2330 -7.0230 0.7170 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2050 -6.5420 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -7.0970 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -7.9410 0.3490 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