IBS-ZINC04085258 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 1.2130 1.8410 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 0.3460 0.9780 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2480 -0.0040 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -0.4710 2.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7520 -0.2120 3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -0.1190 1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -0.0420 0.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -1.9120 1.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -2.6250 2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -2.1200 3.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -4.1350 2.1710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2320 -4.2760 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -4.9200 3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -5.5760 4.4250 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -5.7540 3.1490 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0240 -6.6890 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -4.6620 2.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -4.2230 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -3.4520 0.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 -4.7870 2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 -5.6230 3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 -6.2440 4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 -5.9940 4.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3930 -5.1490 3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5510 -4.5300 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -4.1090 3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -6.1130 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 0.1510 -0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 0.1090 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 2.0460 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 2.3720 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 2.2690 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.3550 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 -6.9130 5.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 -6.4630 4.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4660 -4.9740 3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9400 -3.8650 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -3.6700 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -4.7420 4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -3.2950 4.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -6.7410 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -6.7510 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -5.7580 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 0.0240 2.9450 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 44 1 0 0 0 0 8 9 1 0 0 0 0 8 33 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 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 44 -1 M END