PUBCHEM-ZINC03870014 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 51 0 0 1 0 0 0 0 0999 V2000 1.0090 1.0930 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.3110 -0.5720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9880 0.9790 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.6700 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -1.8450 -1.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -0.1380 -2.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -0.8790 -3.9400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5170 -1.9100 -3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.8430 -5.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -1.6170 -4.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -1.6300 -5.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -1.0410 -6.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -2.3620 -5.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -2.5320 -6.5370 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9150 -2.2870 -7.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 -3.9860 -6.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 -4.9920 -7.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -6.4410 -6.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -7.4540 -7.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2740 -7.3450 -6.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -8.9620 -7.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -9.4860 -8.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -1.5950 -6.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8780 -1.7090 -4.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -0.2060 -4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 0.9780 -4.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 0.4240 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 1.7820 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 1.6900 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.8400 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.1980 -5.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -1.2620 -5.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -2.6540 -4.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -1.1620 -3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -2.7670 -4.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -4.2630 -5.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 -4.0650 -7.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -4.7170 -8.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -4.9270 -6.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 -6.6850 -5.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 -6.5280 -7.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -9.4360 -6.3680 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8390 -7.1750 -8.9020 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9150 -6.7540 -9.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -6.6960 -9.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -8.1810 -9.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 -0.8260 -7.0920 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2830 -0.9180 -5.2740 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7560 -0.4630 0.5900 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4810 -1.1020 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 0.1360 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -1.0690 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 49 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 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 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 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 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 M CHG 1 42 -1 M CHG 1 43 1 M CHG 1 47 -1 M CHG 1 48 -1 M CHG 1 49 1 M END