PUBCHEM-ZINC05167486 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2950 -2.5080 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -2.6850 -0.5960 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2880 -2.2940 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -4.2150 -0.5280 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3960 -4.5960 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 -4.6530 0.9260 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0880 -4.2950 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -4.1050 1.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -2.6760 1.4350 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0420 -2.3400 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -2.1730 2.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -2.3630 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -1.9000 4.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -2.0950 5.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -2.7510 6.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -3.2140 5.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -3.0260 4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -2.9580 7.7710 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5890 -2.5500 8.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -3.5360 8.2430 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1920 -6.1810 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -6.5940 2.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -4.7290 -1.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -2.2660 -1.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -1.3870 3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 -1.7350 6.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -3.7260 5.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -3.3910 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -6.6010 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -6.5330 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -7.5520 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -5.6940 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -2.5640 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 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 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 29 41 1 0 0 0 0 30 42 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END