IBS-ZINC02133009 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.4410 0.1440 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 0.0260 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -1.0440 1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -0.2820 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -0.2910 -1.2520 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0310 -0.9390 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -0.8590 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 0.0360 -3.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 1.0610 -1.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 1.6840 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 1.1800 0.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 3.0970 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 3.5900 -0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 3.2250 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 2.5640 -1.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 3.6800 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9050 3.3360 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9310 3.7850 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6330 4.5750 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 4.9170 2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2860 4.4640 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 4.7940 1.7830 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 5.3710 2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 4.3760 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 4.7180 1.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.9340 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -0.7940 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 0.3950 2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 0.9930 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -2.0350 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -1.0940 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -0.8260 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -1.2530 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 0.4570 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 1.4990 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 3.0800 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 3.7420 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 2.7180 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9620 3.5180 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4350 4.9220 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0960 5.5300 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -2.1110 -2.7560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 42 -1 M END