PUBCHEM-ZINC06470895 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.2230 2.0740 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.9650 0.4940 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2910 0.7210 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 1.3900 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 2.4440 -0.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -0.1850 1.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -1.2230 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -1.4350 1.6800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9340 -2.1480 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -2.2080 3.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -2.7730 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -3.3930 2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -2.3350 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -2.1760 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -3.1870 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -1.6640 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -1.1270 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 -0.4870 -2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 0.7860 -1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 0.8830 -2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 -0.2470 -3.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1480 -1.1260 -3.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 2.0060 -2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8980 2.9360 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 3.1560 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 1.8610 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 1.7620 -0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5130 4.3010 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7190 2.3320 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 2.3470 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 2.9740 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 1.7570 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -0.4530 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -2.0040 4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -3.5490 4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -3.9360 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -4.1310 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.7980 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -1.8700 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 -2.4920 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -0.8980 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -0.3940 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -1.9400 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6880 2.5630 -3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9970 1.6410 -2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8790 3.7520 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 3.7120 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 4.1920 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4980 4.9810 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9600 4.7830 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3390 1.3530 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6970 2.9860 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7680 2.2020 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 0.6360 -1.8440 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 54 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 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 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 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 22 2 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 54 -1 M END