IBS-ZINC04037891 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.5820 1.3300 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 1.0480 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 0.1920 -2.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 1.8440 -1.3550 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0990 0.9460 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 1.2160 -2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 0.4750 -2.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 2.4100 -3.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 2.9260 -2.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7320 3.7760 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 3.4290 -3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 4.5150 -2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 4.9690 -3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 4.3460 -4.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 3.2700 -5.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 2.8110 -4.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 3.0960 -4.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 2.4440 -4.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 3.1270 -5.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 4.4860 -6.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 5.1400 -5.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 4.4560 -4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3530 5.2330 -7.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2430 4.5910 -7.8900 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3500 0.0900 -0.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 1.0020 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 0.7850 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 2.3980 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 5.0190 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 5.8100 -3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 4.7000 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 2.7830 -6.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 1.9580 -4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 1.3870 -4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5530 2.5920 -6.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 6.2000 -5.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 5.0370 -3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 2.2810 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 6.4530 -7.4200 O 0 0 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 25 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 39 2 0 0 0 0 M CHG 1 24 -1 M END