PUBCHEM-ZINC05419325 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.3210 2.1160 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 0.3530 -0.5690 S 0 3 0 0 0 0 0 0 0 0 0 0 0.7780 -0.0090 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 0.3980 2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 0.1390 3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -0.3180 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -0.4890 -3.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3200 -1.1700 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.9710 -4.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9070 -1.6140 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.3120 -4.8980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9850 0.0940 -5.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 1.1840 -4.6930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0770 0.9030 -5.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.7940 -3.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 2.6260 -4.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 3.4110 -3.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 4.6960 -4.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 4.7460 -5.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 3.4710 -5.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 3.1510 -6.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 4.2590 -7.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 5.5540 -6.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 5.8250 -5.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 7.1390 -5.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 0.7500 -4.2700 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5910 -1.6910 -3.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -0.9630 -3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 2.2790 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 2.5520 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 2.6500 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -1.0860 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 0.5070 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 1.4590 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -0.1570 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -0.9240 3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 0.7130 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 0.3570 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -1.2890 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 2.9890 -3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 4.0910 -8.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 7.3490 -4.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 7.8650 -6.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 0.5690 4.6530 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3100 0.4140 5.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 0.0450 4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 1.5710 4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 27 28 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 2 1 M CHG 1 26 -1 M CHG 1 44 1 M END