PUBCHEM-ZINC05160072 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 0.3250 1.5270 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 0.0220 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -0.6150 1.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -0.5900 -1.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -2.0480 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -2.6510 -2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -0.4630 -3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 0.0980 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -2.5830 -4.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -2.2460 -5.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.0050 -6.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -2.2250 -6.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -1.8680 -8.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -1.8860 -9.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -1.5300 -10.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -1.5130 -11.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -1.0790 -12.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -0.8600 -12.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -1.1250 -10.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -0.4160 -12.8920 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5090 -0.2020 -14.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -0.2760 -12.2340 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1860 1.8690 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 1.9550 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 1.8730 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -2.5040 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -2.2700 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -2.4950 -1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -3.7190 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -0.0370 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -0.2670 -3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -0.0600 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 1.1750 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -3.6710 -4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -2.2110 -4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -2.4650 -6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 -2.1810 -8.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -1.7830 -11.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -0.9460 -13.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -1.9780 -3.5210 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1900 -2.1520 -3.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 7 40 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 40 1 M END