PUBCHEM-ZINC03779679 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 0.1350 1.3830 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 0.0700 -0.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -0.3830 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -1.6790 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -1.8060 -0.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -0.6750 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 0.6060 -0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 0.6810 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 1.8010 -0.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 3.1750 -0.4550 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9740 3.1870 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 3.8810 -1.8030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5700 3.6740 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 5.3490 -1.3470 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1220 6.0300 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 5.3160 0.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6920 5.9430 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 3.9510 0.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 5.7010 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 5.7480 1.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 4.9400 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 5.7770 -1.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 5.1380 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 3.6790 -2.6760 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3800 -0.8600 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 -0.9870 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 -1.1220 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7270 0.2390 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2500 0.1200 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7280 1.5090 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6010 2.1150 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4740 1.0860 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -2.8210 -0.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 2.0780 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 6.6890 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 4.9680 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 -1.6730 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3910 -1.7240 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4140 0.8070 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5840 -0.6180 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6450 -0.1810 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6710 1.4630 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9010 2.1250 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9300 2.3470 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2620 3.0530 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 1.5640 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 0.4720 2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -2.7260 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -3.7200 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 9 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 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 25 26 3 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 28 39 1 0 0 0 0 29 30 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 30 31 1 0 0 0 0 30 42 1 0 0 0 0 30 43 1 0 0 0 0 31 32 1 0 0 0 0 31 44 1 0 0 0 0 31 45 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 M CHG 1 24 -1 M END