PUBCHEM-ZINC01230686 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 -4.4090 -0.4220 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -1.4860 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -1.6750 0.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -2.7150 1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -4.0580 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -0.6090 1.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -1.2730 2.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -0.0540 0.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 0.7420 2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 0.5510 2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 1.5940 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 2.8380 3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 3.0320 2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 1.9950 2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 2.2930 2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 1.2810 3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8210 0.0950 3.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 2.3360 3.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7700 2.2750 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4870 1.0720 3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8600 1.0630 3.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5380 2.2570 4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8420 3.4630 4.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4570 3.4950 3.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7390 4.8290 3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4850 4.7790 3.5170 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7260 -0.3700 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 -0.6420 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 0.5670 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 -2.4350 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -1.2390 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -2.4660 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -2.7720 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 -4.3620 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -4.0190 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -4.8310 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 -0.4150 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 3.6790 3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 4.0170 3.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 2.4490 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 3.2020 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 1.4870 2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0420 3.3260 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0030 0.1160 3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3970 0.1190 3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6060 2.2520 4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3790 4.3940 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4170 5.8790 3.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 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 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 43 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 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 48 2 0 0 0 0 M CHG 1 26 -1 M END