PUBCHEM-ZINC06625885 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.5400 1.3540 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -0.0650 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.8970 1.1430 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9040 -1.0820 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -2.2040 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -2.2500 -0.8710 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6410 -2.6820 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -0.7880 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -0.3720 -2.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -3.0070 -0.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -0.2960 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 0.1970 1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 0.7180 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 0.7310 3.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 0.2500 4.3940 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7380 -0.2450 3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 0.2450 5.8550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5760 -0.5710 5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 1.5920 6.2890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3680 1.5970 5.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 1.5250 7.8360 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3550 0.7870 8.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 1.1430 8.5800 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5570 1.1210 9.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -0.2010 8.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4160 -0.9600 8.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -0.1070 6.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -0.7340 8.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 -1.0340 8.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 2.1560 8.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 2.4780 7.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 2.8010 8.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 3.4000 7.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 2.6460 6.0550 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3620 1.8920 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 1.7420 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 1.5050 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -2.1920 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -3.0700 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -2.9620 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 0.1850 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 1.1090 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 1.1250 4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -0.6050 3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -0.8870 10.0480 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 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 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 2 0 0 0 0 28 45 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 15 1 M CHG 1 34 -1 M CHG 1 45 -1 M END