PUBCHEM-ZINC03678676 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.5160 1.5600 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.3050 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.2020 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -1.2860 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -2.0440 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -3.1800 1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -3.5750 2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -2.8080 2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -1.6440 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 -0.8140 1.1880 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5190 0.2450 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 -0.8890 2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2260 -1.1140 1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 -1.0640 3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2510 -1.2270 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5870 -1.1010 4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 -0.8160 5.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 -0.6480 5.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -0.7780 4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -0.6580 3.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 -0.4350 4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 -1.3420 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 -0.7490 -0.4610 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0230 -1.1650 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 0.7700 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 1.4980 -0.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1740 1.1760 -0.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3390 2.5890 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -4.8000 3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -3.9690 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 1.9910 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 1.3350 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 2.3080 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -0.4330 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 0.5610 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -1.7790 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -3.1370 2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0220 -1.4480 2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6220 -1.2260 5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8920 -0.7210 6.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -0.4230 6.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8360 -2.4250 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7580 -0.9230 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9490 3.1150 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8420 2.9350 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4090 2.7990 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -4.6660 4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -4.9990 3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -5.6830 2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -4.0850 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -4.9560 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -3.4680 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -1.1970 -0.1690 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7160 -0.7810 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 -2.2160 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 53 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 M CHG 1 53 1 M END