PUBCHEM-ZINC03748246 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.3600 1.7760 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 0.2640 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -0.5060 0.2370 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2490 -0.1580 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -0.2250 1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -1.9990 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -2.7490 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -4.1200 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -4.7770 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -4.0350 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -2.6550 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -4.6410 -2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -4.2620 -3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 -5.0590 -4.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -5.8450 -3.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 -6.5510 -3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -5.6120 -2.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -5.1030 -5.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -4.3020 -6.4340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7890 -6.1090 -0.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -6.9490 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -8.4010 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -9.3940 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -10.7420 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -11.1120 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -10.1360 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -8.7890 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 2.2620 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 2.0700 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 2.1610 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.0430 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 0.0110 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -0.4370 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 0.8210 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -0.8410 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -2.2720 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -4.6470 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -2.0890 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -3.5080 -4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -6.8080 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -6.7110 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -9.1280 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -11.5020 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -12.1610 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -10.4210 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -8.0380 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 -5.9520 -5.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 47 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 19 -1 M END