NCID-ZINC05386800 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 0.5490 1.6040 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 0.1520 -0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -0.4180 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -0.6720 1.3490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7550 -1.1860 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -1.6070 2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -0.8640 3.7700 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 0.4840 3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 1.1930 2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 2.6340 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 3.4240 2.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 3.0670 4.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 4.0340 4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 2.2630 5.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 1.0210 5.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 2.8290 6.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 0.5980 1.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 1.1020 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 0.6130 -0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.6280 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.0630 -2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -0.8340 -3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -2.2090 -3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -2.8100 -2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.0260 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -3.0050 -5.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -2.6740 -5.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -4.0600 -5.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -5.0830 -6.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0180 -4.6410 -7.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -6.3100 -5.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -6.0140 -5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -7.2150 -5.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -8.2620 -4.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -5.6000 -6.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -5.3660 -5.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 1.8860 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 2.0310 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 2.0810 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -1.3400 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 0.2570 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -1.9890 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -2.4730 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -1.3170 4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 3.7950 6.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 2.2480 7.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4050 1.9930 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 1.0060 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -0.3520 -4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -3.8870 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -2.5540 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -4.1970 -4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -6.7170 -4.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -7.1040 -6.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -5.5880 -6.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -5.2700 -4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 -7.0050 -5.5710 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0850 -6.1550 -7.3130 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 44 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 M CHG 1 57 -1 M CHG 1 58 -1 M END