IBS-ZINC02129740 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.4140 1.8330 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 0.3110 0.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7390 0.0620 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -0.4030 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -1.0950 -1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -0.1720 -2.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 0.4150 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -0.6950 -3.6770 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3040 -1.6500 -3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -0.8620 -4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -2.0340 -4.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -2.9980 -3.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 0.2720 -4.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 1.5080 -4.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -0.2480 1.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -1.2400 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -1.5990 1.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -1.8770 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.8990 3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -3.4830 4.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -3.0440 5.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -2.0240 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -1.4460 3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -0.4330 2.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 -0.1080 3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 0.1890 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 1.0880 1.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 2.1710 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 2.1920 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 2.3230 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 0.0610 -4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -1.0090 -5.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -3.2450 3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -4.2820 5.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -3.5010 6.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -1.6940 5.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -1.9010 -4.9700 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7790 -0.2840 -4.9620 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 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 26 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 37 -1 M CHG 1 38 -1 M END