CHEMBRIDGE-ZINC02206638 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0450 1.5020 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.0040 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -0.7020 -0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -2.0830 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -2.0670 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -0.6860 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1700 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -4.8390 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -4.2300 -2.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -6.3430 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -6.9410 -2.8940 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -8.7410 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -9.3950 -4.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -8.7140 -5.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -10.7360 -4.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -11.3370 -5.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -10.5700 -6.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -11.1040 -7.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -12.4970 -7.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -13.2730 -6.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -12.6580 -5.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -14.7700 -6.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -15.3080 -8.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5370 -15.1130 -8.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -14.6120 -9.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -13.1400 -9.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -12.5150 -10.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -16.7930 -8.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -17.7410 -8.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -18.9860 -8.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -18.7240 -8.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -17.3950 -7.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.8470 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 1.8810 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 1.8690 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -0.1670 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -2.6280 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -2.5990 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -0.1380 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -4.6580 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -6.7620 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -6.6520 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -9.1000 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -8.9900 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -11.2810 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -10.4790 -8.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -15.2000 -5.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -15.0630 -6.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -15.0340 -10.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -14.7370 -8.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -17.5820 -8.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -19.9600 -8.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -19.4590 -7.9830 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 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 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 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 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 M END