PUBCHEM-ZINC05113217 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 50 0 0 1 0 0 0 0 0999 V2000 -0.1190 1.6450 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 0.1230 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -0.3680 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -2.4890 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -4.0040 0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3140 -4.4010 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 -4.7490 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -6.2570 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -4.2370 -1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -3.9590 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 2.1390 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 3.6150 -0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8740 3.8460 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 3.8120 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 4.4010 0.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 4.5380 0.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 4.8510 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 5.0010 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 4.6500 0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 6.0330 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 6.7590 2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 1.9440 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 2.1070 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -0.3460 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -0.1790 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 0.0110 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -0.0960 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -2.0550 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -2.2330 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -4.5280 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -4.3980 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -6.5280 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -6.6620 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.9740 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 1.5140 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 5.5270 3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 6.7400 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 7.2090 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 6.1080 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -1.8600 0.3500 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0410 -2.2670 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -2.1580 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 -6.9450 -0.4540 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0680 -7.9650 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 -6.6500 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 -6.7790 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 3.3830 -1.6000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4850 7.8730 3.2530 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3840 8.3710 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 8.5670 3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 7.5400 4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 48 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 M CHG 1 40 1 M CHG 1 43 1 M CHG 1 47 -1 M CHG 1 48 1 M END