PUBCHEM-ZINC01284291 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.3230 1.4790 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -0.0120 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -0.8690 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -2.2360 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -2.7500 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -1.8860 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -0.5200 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -2.4400 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -4.1340 0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -4.8900 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -4.3830 -1.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -6.3650 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -6.9420 -2.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -8.2750 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -9.0130 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -10.3680 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -10.9890 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -10.2570 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -8.9020 -3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -8.1050 -4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -12.4410 -2.5190 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8960 -13.0880 -1.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -12.9900 -3.6050 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9770 -3.1690 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 1.8380 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 1.9680 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 1.7100 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.4680 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 0.1510 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -2.4740 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -1.7990 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -3.4460 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -4.5500 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -6.5100 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -6.8450 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -8.5280 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -10.9420 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -10.7440 -4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -7.7200 -5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -8.7460 -5.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -7.2730 -4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -3.2910 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -4.1380 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -2.7510 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 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 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END