PUBCHEM-ZINC03779043 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 54 0 0 1 0 0 0 0 0999 V2000 2.1000 -0.5280 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -1.4560 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -2.2110 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.6340 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -1.4520 -0.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6630 -2.1400 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -0.3990 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -0.1930 -2.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -2.2170 -1.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -3.5020 -1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -4.2150 -0.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -4.0370 -2.9530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8740 -3.2890 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -4.3260 -3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -4.4270 -5.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -4.4280 -6.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -4.4180 -7.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -5.2370 -2.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -5.7380 -3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -5.2760 -4.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 -6.9980 -3.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9740 -7.7730 -2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -6.7070 -2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 -6.5010 -2.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 -6.2570 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -1.0970 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 -0.0060 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 0.2260 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -2.1800 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -2.9550 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -2.7450 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -1.5260 2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 0.0790 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -0.0250 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -1.6800 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -5.2500 -3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -3.5250 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -3.5820 -5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -5.3460 -5.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -5.3110 -5.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -3.5470 -5.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -3.5280 -7.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -5.3160 -7.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -5.6690 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -5.8240 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -7.5740 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 0.0850 -0.1180 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0570 -4.3860 -8.3080 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8990 -4.2920 -9.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -3.5860 -8.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -5.2400 -8.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -7.4900 -4.3010 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2550 -7.0020 -5.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 -8.5060 -4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -7.1560 -4.0650 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 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 47 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 1 M CHG 1 52 1 M END