IBS-ZINC05345484 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 0.2300 2.2260 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 0.8490 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 0.1840 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 0.9150 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 2.2950 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 2.9510 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 4.3740 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 4.8350 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 6.2760 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 7.1750 0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 6.4640 1.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 5.3630 2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 5.3640 3.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 3.9240 1.7660 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -1.2890 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -1.7730 -2.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -1.9800 -0.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -3.3670 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -4.2840 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -5.6400 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 -6.0840 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -5.1910 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -3.8210 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.8580 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.6310 1.2920 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6700 -7.4170 -0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 2.7200 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 0.2940 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 0.4400 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 2.8450 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 5.0550 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 7.3910 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 -1.4740 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -3.9710 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -6.3460 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 -5.5370 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 -7.5650 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2090 -3.3310 2.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 14 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 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 38 2 0 0 0 0 26 37 1 0 0 0 0 M CHG 1 25 -1 M END