PUBCHEM-ZINC05586600 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 1.2190 0.9970 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -0.3990 -0.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -0.8210 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.1990 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.7720 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.9570 3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -0.5760 3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -0.0110 2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -2.6760 5.0350 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -1.6290 6.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -3.8990 5.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -3.0840 4.9290 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -1.9510 4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2680 -2.4500 5.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6640 -4.7170 4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -4.1920 4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0970 -4.0430 4.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6830 -4.9250 3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1440 -4.4080 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 -5.2660 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 -6.6220 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2590 -7.1580 2.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7720 -6.3020 3.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 1.3470 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 1.1650 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 1.5660 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -2.8280 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -3.8430 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0700 4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 1.0640 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -1.5110 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 -1.1760 5.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -1.6450 5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 -2.8460 6.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 -5.1410 5.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 -5.4700 3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 -5.0190 4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 -3.8330 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 -4.5380 5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7160 -3.1430 4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1150 -3.3400 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0410 -4.8890 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0950 -7.3330 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4380 -6.7810 4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -3.5810 4.3000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6900 -3.2080 3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 45 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END