PUBCHEM-ZINC04755019 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.2060 1.6890 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 0.1870 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -0.4110 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -1.7860 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -2.5780 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -1.9750 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.5920 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 0.0170 -2.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -0.6480 -3.7460 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 0.2660 -4.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -2.0060 -3.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -0.6690 -3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 0.4110 -3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 0.3950 -3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 -0.7020 -2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -1.7830 -2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -1.7680 -2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6710 -0.7190 -2.7170 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3580 0.2330 -3.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1850 -1.6860 -2.1830 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4370 -4.0520 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -4.7480 1.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -4.3700 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -6.0910 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -7.2600 1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -8.4800 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -8.5480 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -7.4090 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -6.1590 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -4.8860 -0.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 2.0180 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 2.0020 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 2.1340 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 0.2000 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -2.2490 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -2.5830 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 0.8290 -2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 1.2680 -4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 1.2390 -3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -2.6390 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -2.6140 -2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -7.2140 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -9.3900 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -9.5100 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -7.4730 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 30 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END