PUBCHEM-ZINC05977195 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 57 0 0 1 0 0 0 0 0999 V2000 -1.0570 2.2790 -2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 1.0140 -3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 0.7400 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 1.1430 -4.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6800 1.9770 -4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.2820 -4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 0.2740 -3.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 2.5690 -3.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 2.8830 -3.8890 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6070 2.0350 -3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 3.2650 -5.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 1.8990 -6.4630 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 2.5470 -7.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 2.5960 -7.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 1.5500 -9.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 3.9300 -8.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 4.0930 -2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 4.8480 -2.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 4.2890 -2.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 5.4310 -1.5750 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1780 6.2890 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 5.1410 -0.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0850 5.9550 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 5.0020 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 3.9490 0.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 3.2090 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2590 5.7710 -1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 4.9970 -2.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6950 6.9970 -1.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6570 7.2520 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 7.6670 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 2.4330 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 3.1680 -2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 2.2010 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 0.1770 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 1.5000 -3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -0.2420 -3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 0.7450 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 3.3720 -4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 4.1280 -5.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 3.5510 -5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4610 1.6210 -7.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 2.8810 -8.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2950 3.3320 -6.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 1.4810 -9.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 1.8610 -9.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 0.5440 -8.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 4.7000 -7.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 4.2470 -9.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 3.9310 -8.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2170 3.6540 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 4.1140 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 4.8720 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 5.8860 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -0.0940 -5.1430 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0700 -0.0250 -5.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -0.2840 -5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -0.9070 -4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 55 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 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 51 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 M CHG 1 55 1 M END