PUBCHEM-ZINC04550799 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 0.9010 -1.8620 -3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -1.5310 -2.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -1.9840 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -2.6060 -3.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -1.5570 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -2.5440 -0.5450 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7360 -2.6670 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -3.9100 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -5.0320 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -6.2950 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -6.4640 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -5.3480 1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -4.0840 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -8.0970 1.0470 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -8.2220 2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -1.9880 0.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -1.1190 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 -0.7400 -0.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 -0.7050 1.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1350 -1.6470 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0420 0.1050 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 1.5370 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 2.2700 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 1.4710 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 0.0680 2.5670 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6320 0.2030 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -0.6530 3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -1.8780 2.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -1.4630 -2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -2.9480 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -1.4030 -4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -1.4610 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -0.5590 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -4.9310 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -7.1440 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -5.4380 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -3.2360 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -8.0130 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -9.2400 3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -7.5330 3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 -2.2130 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5990 -0.4020 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7120 0.1430 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 1.5340 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6650 2.0890 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 3.2450 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4320 2.4680 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 1.3960 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 2.0310 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 0.0420 3.9230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 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 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 M CHG 1 50 -1 M END