PUBCHEM-ZINC03869574 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.5910 0.6360 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -0.7730 -0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -1.5300 1.0610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7850 -1.3200 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.9800 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -2.9320 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -1.5310 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -1.1510 -2.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -1.1940 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -1.0220 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 -0.7390 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 -0.5910 2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -0.6840 3.6950 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4320 -1.0560 3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -0.5040 5.1930 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5520 -1.5450 5.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 0.3180 5.7450 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5200 0.2120 5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 1.8500 5.7490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6080 2.2340 4.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 2.1760 6.3430 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2220 3.2570 6.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 1.4310 5.4600 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7970 1.6840 4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 0.0030 5.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5340 1.7880 5.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2620 1.0790 4.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 1.7060 7.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 0.9160 7.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 2.4970 6.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 1.8220 7.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.0420 7.0150 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4840 0.7700 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 1.0080 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 1.1940 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -3.3260 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -3.6780 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -3.6730 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -3.0710 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -1.1130 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 -0.6310 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -0.4000 3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -1.2490 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 2.7850 6.2160 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 13 1 M CHG 1 32 -1 M CHG 1 44 -1 M END