PUBCHEM-ZINC06855993 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.5640 1.0130 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -0.2490 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -0.8300 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -1.7160 -1.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -3.0330 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -3.5670 -0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -3.7500 -2.5890 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6930 -4.6360 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -2.5920 -3.6370 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -1.2870 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -0.0740 -2.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 0.3290 -3.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 0.2010 -3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 0.6490 -5.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 1.2400 -6.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 1.3840 -6.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 0.9320 -4.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 1.6790 -7.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -4.0850 -3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -5.1950 -4.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -5.9450 -4.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -5.2840 -4.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -6.2950 -6.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -7.4510 -5.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -8.4600 -6.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -8.2710 -7.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 1.3760 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 1.7030 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -0.9080 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -1.3950 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -0.0440 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9360 -0.2440 -3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 0.5450 -5.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 1.8460 -6.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 1.0530 -4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 2.1310 -7.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -3.1980 -3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -4.4450 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -4.6290 -4.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -6.6410 -6.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -5.7970 -6.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 -7.0730 -5.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -7.9730 -4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -9.3710 -6.1640 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 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 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 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 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 44 -1 M END