PUBCHEM-ZINC04700189 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 2.1330 1.4000 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 0.0190 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6810 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 0.0000 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 1.3810 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.4850 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 4.1720 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 3.5800 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 5.6740 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 6.1650 0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 7.5860 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 7.9920 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 7.1470 0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 9.2930 0.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 9.7040 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 10.7600 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1810 11.9080 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 11.3770 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 10.3290 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -2.1610 0.0030 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0620 -2.7610 0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -2.7780 -0.6440 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8640 1.9450 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -0.5160 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -0.5490 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.9120 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 3.9610 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 6.1010 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 5.9570 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 8.0540 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 7.9100 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1140 10.1280 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5550 8.8400 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1950 11.1430 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0660 10.3100 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2780 12.3410 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 12.6720 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 12.1990 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 10.9210 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 9.8760 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 10.8040 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END