PUBCHEM-ZINC04306431 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0050 1.7750 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 0.2460 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -0.3130 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 0.1300 1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 1.5930 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 2.2100 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -0.4640 2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -1.3050 3.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -1.8940 4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -1.6160 4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 -0.7280 3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 -0.1810 2.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 -0.4220 3.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 1.0110 3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0800 1.2940 3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7130 0.8590 2.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -0.5330 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 -0.8340 1.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3240 -2.2510 5.1120 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8710 -3.3140 4.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 -1.7100 6.1920 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5260 -2.7720 4.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 2.1770 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 2.1500 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -0.0700 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -0.1260 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 0.0480 2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -1.4020 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 1.9460 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 1.8890 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 1.8680 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 3.2960 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1450 1.5910 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 1.2900 4.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2420 2.3650 3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 0.7560 4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0160 -0.7840 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9660 -1.1240 2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8860 -1.9040 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 -0.2840 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -2.9610 4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 -3.1980 5.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 22 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 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END