PUBCHEM-ZINC04215172 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.6020 1.7050 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 0.2990 0.7940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2090 0.3500 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -0.3310 0.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2570 0.2160 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -1.8020 0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1090 -1.8930 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -2.5420 1.1280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4060 -2.6090 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -1.8180 1.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1040 -1.8170 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -0.4770 1.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -2.5710 2.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -2.1230 2.5960 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7170 -1.1280 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -3.1170 1.9680 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5630 -4.0650 2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -3.4320 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -4.2450 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -4.4620 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -2.5790 2.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 -3.1620 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -2.0050 4.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8550 -1.7360 4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -1.0170 4.8130 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4560 -0.2640 4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -0.2630 5.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -0.4130 7.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.7580 5.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -3.2940 4.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -3.2200 5.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -3.8880 0.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -4.2910 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -2.4050 -0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -3.3680 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -0.2580 1.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -0.9170 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 2.2730 1.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 1.6330 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 2.3580 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 1.6920 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -3.9790 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -2.5190 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.4120 6.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 0.4040 5.6740 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 29 44 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 45 -1 M END