PUBCHEM-ZINC02016421 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -1.2180 -0.9470 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 1.0840 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 1.7030 2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -0.4270 3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -0.9870 2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 1.7750 4.5830 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6870 2.8480 4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3970 1.6030 4.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 2.0950 5.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 3.2630 5.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5980 3.6790 6.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5370 2.9350 8.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 1.7760 8.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 1.3560 6.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -0.1210 7.0760 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 0.6320 6.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 1.4530 5.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 2.0310 5.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 1.7760 6.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 0.9420 8.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 0.3790 7.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 2.3880 7.0140 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8800 2.8890 5.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 2.3650 8.0850 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1440 -0.7500 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -0.5320 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -2.0310 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 1.5150 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 1.3690 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 2.7800 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 1.5090 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 -0.6680 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.8300 4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -0.8220 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -2.0710 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 2.1400 3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 0.5610 4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9620 3.8530 4.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 4.5800 6.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 3.2580 8.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 1.2070 9.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 2.7000 5.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 0.7250 8.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.2580 8.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -0.3820 0.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 1.0900 3.3330 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2260 1.2640 3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 45 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 46 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 46 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 46 1 M END