PUBCHEM-ZINC05964762 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 1.7990 -4.3440 3.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -3.8140 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -2.2890 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -1.6430 3.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -1.6950 1.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -0.2670 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 0.3500 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 1.7240 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 2.5140 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 1.9280 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 0.5520 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -2.4860 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -2.0830 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -3.0070 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -3.5300 -0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -2.6250 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -3.7080 -3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 -2.9480 -3.5910 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8270 -3.2670 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -3.1320 -4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -4.0560 -5.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 -4.2560 -6.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5590 -3.5380 -7.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -2.6220 -7.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 -2.4200 -6.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -3.7340 -8.8260 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -1.5610 -3.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -4.0080 4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -5.4380 3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -3.9980 4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -4.1870 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -4.1960 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -0.2320 2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 2.1720 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 3.5830 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 2.5430 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 0.1610 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -3.5030 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -1.0610 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 -2.1130 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -2.6340 -3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -4.0380 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -4.5610 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -3.5230 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -3.0360 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -1.6540 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -4.7710 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -3.6050 -4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 -4.6270 -4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 -4.9670 -6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -2.0730 -8.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -1.7020 -5.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -1.0440 -3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -3.0240 -2.1660 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0450 -2.2860 H 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 12 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 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 54 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 27 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END