PUBCHEM-ZINC05118767 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.1090 1.2400 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 1.2560 2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 3.1480 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 3.5360 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 5.0540 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 5.4260 -0.9420 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 5.5340 -0.9310 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5370 6.2920 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 5.9440 -2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 6.0520 -3.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 5.7350 -2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 5.7490 -2.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 6.4010 -4.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 6.1780 -2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 5.4440 -3.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7750 7.2940 -2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0870 7.5540 -2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5760 8.6660 -1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7000 9.2990 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1860 8.5110 -1.1570 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 4.2030 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 3.0560 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 1.8360 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 1.7620 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3880 2.9090 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 4.1290 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 2.8300 1.7370 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.9420 1.7540 2.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8160 3.8400 2.3060 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1690 0.1520 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 1.6600 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 1.5750 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 1.7310 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 0.1730 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 1.5410 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 3.6340 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 3.4670 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 3.2170 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 3.0500 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 5.3730 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 5.5400 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 6.4270 -4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6780 6.9450 -3.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5940 9.0060 -2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9220 10.1870 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 3.1140 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 0.9390 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4080 0.8080 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1470 5.0240 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 1.6900 1.4210 N 0 0 0 0 0 0 0 0 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 1 50 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 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 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 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 END