PUBCHEM-ZINC01131259 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 0.7360 1.0390 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -0.3840 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -0.4410 0.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -0.0720 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -1.2830 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -0.9230 1.4440 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -1.4030 0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -1.7100 2.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 0.5220 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 1.2350 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 2.3690 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1600 2.7920 3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 2.0730 3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 0.9380 3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 3.9390 3.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 4.7280 4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 4.4950 4.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 5.8770 4.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 6.1000 4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8730 7.2030 5.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2390 8.0430 6.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 7.9050 6.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 6.8200 5.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 6.6750 6.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 7.5780 7.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 8.6420 7.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 8.8190 7.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3110 7.4300 5.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9720 8.5170 5.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3100 8.7240 5.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9970 7.8540 4.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3470 6.7730 3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0070 6.5600 4.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 1.0820 2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 1.7290 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 1.3200 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -0.6650 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -1.0730 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 0.2540 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 0.7390 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.0080 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -1.6090 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -2.0940 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 0.9060 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 2.9250 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 2.3990 4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 0.3760 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 4.1670 3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7860 5.4310 4.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 5.8540 5.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 7.4660 7.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 9.3440 8.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 9.6500 7.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4370 9.1960 6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8230 9.5660 5.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0440 8.0190 4.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8880 6.0980 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4990 5.7180 3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 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 39 1 0 0 0 0 4 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 5 43 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 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 M END