PUBCHEM-ZINC04546309 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 1.2270 1.6550 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 0.3400 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 0.1150 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -0.5600 -2.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -1.9010 -1.9330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1570 -2.1990 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -1.8280 -1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -0.8320 -1.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -2.8930 -2.9610 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6160 -2.7680 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -4.4050 -2.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8160 -4.6080 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -5.3410 -3.6230 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0170 -5.1440 -3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -6.8290 -3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -7.5470 -4.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -6.9650 -5.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -5.0880 -4.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -4.1010 -4.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -4.6470 -1.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -5.1340 -0.3010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9520 -4.5230 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -4.9350 1.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9160 -3.8830 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 -5.4080 2.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0270 -4.6350 2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -6.6660 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -7.1500 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -6.5030 -0.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -8.5220 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -9.3000 1.2550 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5230 -5.6380 3.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -5.6640 1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -5.8860 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.6360 -4.1750 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3090 1.5930 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 1.9060 -2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 2.4470 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3390 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -2.7820 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -7.1710 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -7.0710 -3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -7.2180 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -6.1360 3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -8.6960 -0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 39 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 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 45 2 0 0 0 0 32 44 1 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 31 -1 M CHG 1 35 -1 M END