PUBCHEM-ZINC05800653 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 3.8800 -0.2320 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -1.1980 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 -1.3490 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -2.2700 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -3.0640 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -2.9230 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -2.0000 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -4.0360 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -5.1010 -0.7710 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6300 -6.2440 -0.5130 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5240 -6.0440 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -7.4460 -1.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -7.3020 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -8.1270 -1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -5.8690 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -5.4390 -1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -8.6760 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -9.7160 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -11.0570 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -12.5010 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -13.2550 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -6.4610 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -6.3390 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -6.5310 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -6.8500 3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -6.9770 3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -6.7850 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -3.9630 1.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -0.7280 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 0.1540 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 0.6280 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -0.7490 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -2.3630 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -3.5030 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -1.9050 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -9.0840 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -8.4350 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -9.3690 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -9.8220 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -11.4890 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -10.9360 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -12.9210 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -11.6360 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -13.2500 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -12.8950 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 -13.7640 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -13.9130 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -6.0850 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -6.4250 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -6.9920 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -7.2170 4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -6.8830 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -4.6310 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -12.0630 0.4740 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4800 -11.6080 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 28 2 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 53 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 54 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 54 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END