PUBCHEM-ZINC06470885 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.6710 1.4700 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 0.1110 -0.3470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9580 0.1750 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -1.0280 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -0.7710 -2.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.1400 1.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.7360 1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.3280 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -2.7290 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -3.5590 1.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -3.1730 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -2.0250 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -0.9410 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -0.3750 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 0.8160 1.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.8590 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 0.3010 4.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 0.1390 5.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 0.4960 6.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 0.1030 7.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -0.4390 7.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.4190 6.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 0.2030 8.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 0.3740 7.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 1.3840 6.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 1.1040 5.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.4390 4.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 -0.9900 7.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 0.9040 8.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 1.5000 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 1.7120 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 2.2600 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -1.5030 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -3.9050 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -3.6740 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -1.6020 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 -2.4010 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -0.1310 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 -1.3300 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -1.8240 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -0.8650 3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 1.2470 3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 0.3910 4.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0750 9.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 -0.6800 9.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 2.3990 6.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4200 1.3890 5.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 -1.4310 6.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -0.8900 6.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -1.7070 7.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 0.2190 9.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 1.0230 8.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 1.8800 9.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -2.0930 -1.1870 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 16 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 14 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 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