PUBCHEM-ZINC00621461 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -3.1990 2.2390 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 0.8600 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 0.6970 1.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -0.3190 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -0.2060 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -1.3440 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -2.5900 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -2.7170 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 -1.5760 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -4.0210 -0.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 -4.4830 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 -3.6150 -0.5080 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 -5.7920 0.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 -6.8740 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 -6.9620 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 -8.1000 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3590 -9.1720 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 -9.0930 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 -7.9610 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2570 -10.3810 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 -11.6210 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 -12.3320 0.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 2.9800 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 2.4150 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 2.3690 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 0.7460 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -1.2620 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -3.4570 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -1.6420 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -4.7680 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 -5.9920 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0350 -6.1870 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4710 -8.1470 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 -9.9210 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 -7.9440 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5670 -10.5740 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1830 -10.1880 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7580 -11.8150 -1.5110 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 38 -1 M END