PUBCHEM-ZINC05635805 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.0580 1.3870 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.0100 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -0.4020 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 0.6850 0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 1.7610 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -1.6900 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -1.8500 0.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 -3.1220 0.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -3.3570 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -2.5030 -0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -4.8330 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 -4.9850 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 -6.4410 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 -7.0310 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 -5.5790 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2550 -8.5110 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0720 -9.0820 -2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -8.5840 -4.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6540 -9.1000 -5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -10.1250 -5.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 -10.6380 -4.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -10.1130 -3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -10.6660 -6.8690 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2300 -10.1910 -7.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 -11.5630 -7.0170 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8960 2.0410 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -0.6490 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 2.7020 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -2.5390 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -3.8730 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -5.2600 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3060 -4.4530 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 -4.5160 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3580 -6.5120 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 -7.0030 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 -7.6080 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8760 -7.4940 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -5.5480 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 -5.0680 -2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 -9.1270 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3280 -8.4780 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5580 -7.7930 -3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -8.6960 -6.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -11.4390 -4.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -10.5200 -2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -7.0960 -1.4090 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0680 -6.5620 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 46 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 14 46 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 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 46 1 M END