PUBCHEM-ZINC06303462 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.1900 1.8210 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 0.5290 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -0.1620 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 0.3600 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -0.7440 1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -1.8590 0.8740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -1.4820 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -0.7900 2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -0.6860 3.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -0.7020 5.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 -1.2140 4.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -0.0760 6.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8130 -0.5750 6.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 0.2470 6.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 1.7340 6.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 2.1970 7.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 1.4340 6.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 2.0200 5.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -1.6770 7.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -2.5090 8.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -2.0210 9.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -0.7670 9.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 1.7580 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 2.2440 2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 2.6100 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 2.4570 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 1.5560 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -0.1020 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 0.7770 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 -1.7190 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 0.0270 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 0.2450 4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -1.5190 4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -0.1820 5.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 0.1260 7.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 1.9400 5.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 2.3140 6.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 3.2680 6.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 2.0180 8.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 -0.3640 7.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -3.5340 8.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 -2.5600 7.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 3.0040 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 3.4560 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 -2.9440 10.1380 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 23 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 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 45 -1 M END