PUBCHEM-ZINC04608427 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -1.9720 1.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -2.6680 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -4.0530 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -4.7380 3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -4.0450 4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -2.6650 4.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.9750 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -4.7810 5.5380 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0340 -5.9960 5.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -4.1720 6.4080 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -0.9070 -1.4110 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -1.3920 -1.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 0.1880 -2.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -2.2720 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -3.5650 -1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -4.6360 -2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -4.4140 -3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -3.1220 -3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -2.0510 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.2080 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.0870 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -2.4580 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -4.5950 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -5.8150 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -2.1270 5.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -0.8980 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.6150 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -3.7380 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -5.6450 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -5.2510 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -2.9490 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -1.0410 -3.2120 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 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 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 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END