PUBCHEM-ZINC06546004 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 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 0.0240 -0.8260 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.1080 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0930 -0.6660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7640 -1.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -3.3220 -1.4620 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5820 -3.1680 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -4.5380 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -3.3860 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -3.4820 2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -4.7220 3.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -5.8570 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -5.7700 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -3.6860 -1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -3.3810 -3.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -3.7140 -3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 -4.3530 -2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -4.6590 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -4.3290 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 -4.7090 -2.7940 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.8560 -4.4390 -3.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 -5.2720 -1.9740 O 0 5 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 0.0280 -0.4940 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -2.5970 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -4.8050 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -6.8210 3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -6.6630 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -2.8820 -3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -3.4750 -4.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -5.1580 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -4.5720 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -4.4070 -0.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -5.0420 -1.1180 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 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END