IBS-ZINC04898130 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 51 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 0 0 0 0 0 0 0 0 0 0 0.8480 -0.5100 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.0720 2.4870 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2390 -0.5800 2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.0710 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -0.5000 0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 1.3890 2.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 2.1230 2.6670 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9850 2.1930 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 3.5040 3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 3.4830 3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 2.2950 2.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 4.6300 3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 4.6120 3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 5.8180 3.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 6.8130 3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 6.2400 3.7570 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 1.3740 3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 1.9980 4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 1.3280 5.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 0.0260 5.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -0.5990 4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 0.0730 4.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -0.5780 3.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -0.4990 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.9020 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 1.8880 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 1.8760 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -1.5980 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -0.0910 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -1.6700 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -0.2110 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -0.4720 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 1.0180 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 3.6320 4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 4.2930 2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 3.7260 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 5.9500 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 7.8210 4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 3.0150 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 1.8200 5.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 -0.5030 6.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -1.6170 5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -0.1220 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -1.5890 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.1400 -2.1480 H 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 7 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 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 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END