PUBCHEM-ZINC04619562 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 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 0.0220 -0.7550 1.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.0630 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -3.2630 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -4.4540 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -4.4860 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -3.3150 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.0950 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7770 -1.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.3000 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -0.1180 -2.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -0.3630 -2.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 0.3170 -4.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 0.4860 -4.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 0.9050 -5.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 1.0830 -6.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 1.5330 -7.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0400 1.6990 -8.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 1.4200 -7.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 0.9740 -6.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 0.8070 -5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2880 2.1750 -9.5360 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3500 2.4210 -10.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4300 2.3220 -9.9330 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 0.0680 -3.2500 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -5.3800 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -5.4360 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -3.3460 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -1.0300 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 0.6530 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 0.5120 -4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 1.1220 -6.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 1.7520 -8.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1190 1.5520 -7.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 0.7580 -5.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3790 0.3740 -4.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -0.5880 -4.2120 H 0 0 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 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END