PUBCHEM-ZINC05979259 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 1.5060 -1.6790 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -2.2320 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -1.4550 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -1.1830 -1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.7060 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 0.7510 1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 1.1170 3.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 1.9210 4.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0210 1.3870 4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 1.9010 5.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 2.3370 6.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 2.3300 7.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 1.4510 8.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 1.5010 9.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 2.3550 9.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 3.1960 8.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 3.2280 7.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 2.8380 6.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 1.2660 4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2410 1.1600 5.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 0.7340 3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 0.0630 2.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 3.3210 3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 4.1510 3.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 5.4380 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 5.9160 2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 5.0980 3.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 3.8160 3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 5.5200 3.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -2.4880 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -0.9340 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -1.2120 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -2.7070 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -2.9650 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -0.8320 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -2.5050 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -0.1310 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -1.7980 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -1.4050 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -0.8180 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -1.4180 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 1.4310 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 0.9020 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 0.7370 8.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 0.8360 10.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 3.8680 8.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 3.9290 6.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 3.2280 7.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 3.8070 2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 6.0700 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 6.9190 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 3.2130 4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 6.4510 3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -1.1020 0.4860 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3530 -0.2890 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 54 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 18 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 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 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 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END