CHEMDIV-ZINC06748768 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 55 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 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.5700 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.0610 1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 0.0490 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -0.2430 0.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 0.5260 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 0.8640 3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 1.3070 4.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4590 1.4310 4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 1.0910 3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 0.6490 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8810 1.3600 3.9950 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.5740 1.9080 5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 1.8660 5.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 2.2990 7.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2180 2.5810 7.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1600 2.3340 6.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4630 3.0770 9.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7640 3.3290 9.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9870 3.7890 10.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9220 4.0010 11.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6280 3.7530 11.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3940 3.2860 9.9220 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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.4020 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -3.6600 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.2190 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -2.4410 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 0.1720 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 0.7760 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 1.5630 5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 0.3960 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 2.3920 7.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5970 3.1650 8.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9950 3.9850 11.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1010 4.3620 12.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 3.9200 11.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 3.0880 9.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 22 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 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 M END