PUBCHEM-ZINC05415773 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.3020 1.8060 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 0.4040 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.7010 1.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6740 -0.3970 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -1.7780 0.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -1.5250 -0.9950 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1330 -1.5860 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 0.1400 -1.2880 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -2.7910 -1.3980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8600 -3.5540 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -3.0050 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -3.8240 0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -2.5500 -2.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -3.5730 -2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -4.7490 -2.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -3.1190 -3.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -4.0170 -3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 -3.2940 -4.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8990 -4.1920 -5.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7970 -4.7540 -4.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9870 -5.4740 -3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -4.5800 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -1.0790 2.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -1.9230 3.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 0.2880 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 1.9370 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 2.5800 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 1.9990 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -1.5980 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -2.1320 -3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -4.8520 -4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -2.3910 -4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -2.9560 -5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 -3.6240 -6.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 -5.0180 -5.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3670 -3.9370 -3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5260 -5.4450 -4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 -5.8030 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5340 -6.3770 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 -5.1520 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -3.7560 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 0.9590 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -0.7300 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 0.5750 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -0.4640 3.2880 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 29 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 30 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 45 -1 M END