PUBCHEM-ZINC05996403 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 66 0 0 1 0 0 0 0 0999 V2000 0.4450 -0.6190 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -0.5010 3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 0.3350 4.7200 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6810 1.3700 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -0.0660 6.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 0.9390 7.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 1.1150 6.4710 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8070 0.2640 6.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 1.2300 4.9340 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2420 1.0790 4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 0.2420 4.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 2.5180 4.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 3.0940 3.4820 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0450 2.3210 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 3.7750 2.5090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8040 4.4130 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 4.5670 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 5.5210 2.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8820 5.9830 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2650 4.8480 3.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7790 5.6640 3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 4.1190 4.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8160 4.8640 4.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 3.4840 5.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 3.9140 5.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3790 4.0150 2.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 3.4820 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4840 3.7790 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5060 4.1490 4.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6770 3.0100 2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 6.5440 2.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 7.7030 1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -1.7110 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -0.3180 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -0.2850 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.3900 3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -1.5610 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -1.0690 6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.0820 6.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 0.6080 8.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 1.8990 7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 5.1410 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 3.8840 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 2.7380 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2110 2.9880 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 4.2930 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1200 3.5520 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3870 1.9960 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 7.4480 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 8.1830 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 8.4060 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 0.0000 2.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.3500 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7520 2.8710 3.7660 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.5960 2.4150 3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0190 3.7970 4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4300 2.3330 4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 2.7330 1.8520 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1170 2.1950 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 2.0140 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 3.1530 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 2.3500 7.0520 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1170 3.0930 7.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 2.1850 7.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 2.7770 6.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 52 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 62 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 58 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58 61 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 M CHG 1 54 1 M CHG 1 58 1 M CHG 1 62 1 M END