PUBCHEM-ZINC05499862 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -2.0260 -1.5100 P 0 0 3 0 0 0 0 0 0 0 0 0 -0.4350 -2.7110 -1.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -2.1970 -3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -2.6910 -0.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -2.8110 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -3.4850 1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -2.6190 1.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.6290 2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 -2.7370 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 -1.9160 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 -2.0360 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 -2.9700 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 -3.7890 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -3.6790 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5900 -3.0940 -2.4190 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5720 -2.3740 -2.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4270 -3.9170 -3.3020 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 -1.6920 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -3.2530 -3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -1.7460 -3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -1.8200 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -3.4130 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -3.6570 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -4.4380 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -2.0790 3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -0.7760 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -1.2960 3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -1.1860 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6530 -1.3980 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -4.5170 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -4.3210 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 33 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 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END