PUBCHEM-ZINC02737124 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 1.0640 1.9900 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 0.4960 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -0.0980 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -1.4860 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -2.1810 -0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -1.5740 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.2650 -1.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -2.3970 -2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -2.1290 2.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -3.7760 2.1100 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -4.1250 3.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -4.1110 1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -4.4700 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -4.7480 2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 -5.2920 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -5.5590 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -5.2780 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -4.7390 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4430 -6.1090 -0.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 -7.3770 -1.4680 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6120 -7.7030 -1.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -8.3140 -0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -6.7760 -2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -7.3030 -3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 -6.8310 -4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -5.8320 -5.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 -5.3050 -4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 -5.7740 -3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 -5.2060 -3.2830 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8850 -4.4160 -4.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 -5.5280 -2.2320 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1200 2.2510 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 2.3260 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 2.4750 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 0.4970 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -2.4960 -3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -1.9050 -3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -3.3860 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.6140 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -4.5400 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 -5.5090 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -5.4840 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -4.5250 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3190 -5.7480 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -8.0830 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -7.2430 -4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -5.4640 -6.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 -4.5250 -5.3800 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END