PUBCHEM-ZINC03638711 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 0.1070 -1.2150 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -1.1430 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -0.2230 1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.6260 -0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -1.4000 -1.5270 P 0 0 3 0 0 0 0 0 0 0 0 0 -3.4970 -1.7280 -1.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -2.7580 -1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -3.8460 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -4.9260 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -6.0910 -0.5920 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6290 -6.7020 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -7.0730 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -5.6630 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -0.4600 -2.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 0.6650 -2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 1.8020 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 2.9440 -1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 2.9540 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 1.8210 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 0.6780 -3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 4.1780 -2.3070 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7280 5.1760 -1.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3580 4.1870 -2.7020 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1350 -1.5260 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -1.9360 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -0.2330 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -2.1410 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 0.7940 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -0.2410 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -0.5680 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -3.4870 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -4.2640 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -5.2260 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -4.5330 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -7.0740 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -7.5290 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -5.9560 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -6.6200 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -7.9370 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -7.3910 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -5.0180 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -6.5390 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -5.1150 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 1.7950 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 3.8300 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 1.8310 -3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 -0.2050 -3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 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 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 10 1 M CHG 1 21 1 M CHG 1 23 -1 M END