PUBCHEM-ZINC05633053 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -1.3820 2.0810 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 0.6070 -1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 0.4350 -3.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -0.2600 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -1.7820 -0.9680 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4420 -2.0640 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -2.3090 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -2.6960 0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -2.2750 -1.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 -2.6100 -2.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6780 -3.4170 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -1.3730 -1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -0.8150 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 0.5060 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 -1.7970 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -3.0740 -3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -2.7280 -4.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -2.4700 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -2.5690 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -2.0530 -0.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -3.3210 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -2.9750 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 -3.6540 2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 -4.6920 3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -5.0550 2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -4.3690 1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 -5.4130 4.0860 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3230 -5.0920 4.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -6.3010 4.6990 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8680 2.7110 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 2.2330 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 2.4310 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 0.3350 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -0.5800 -3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 1.1160 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 0.6480 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 0.0520 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -0.0300 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -2.0330 -2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -0.5740 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3810 -1.6020 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -0.5930 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 0.9330 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 1.2410 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 0.3640 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -2.7220 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -1.3600 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9910 -2.0580 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -2.8620 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 -2.1700 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 -3.3630 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -5.8680 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -4.6880 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8870 -3.7290 -3.5980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 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 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 54 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 54 -1 M END