IBS-ZINC05248925 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 -0.8830 1.1450 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -0.2370 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -1.0430 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -2.4340 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -3.2060 -1.9070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -3.0860 -1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -2.3580 -1.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -3.8970 -3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 -3.8740 -3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 -3.1510 -2.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0620 -3.1670 -2.7040 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3150 -3.5760 -3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 -3.9890 -1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4650 -5.4850 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3200 -6.4280 -0.4590 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -8.0990 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6160 -1.7200 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3050 -1.0740 -1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -4.7610 -3.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -5.4750 -4.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -4.7170 -3.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -3.9930 -2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -4.0690 -2.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 1.7170 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 1.0750 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 1.7040 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -0.1310 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -0.7690 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -1.1380 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -0.5040 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -2.3410 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -2.9750 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 -4.4820 -3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 -2.5110 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8160 -3.8080 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 -3.6570 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3950 -5.7010 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -5.8240 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3770 -8.8260 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 -8.2540 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3590 -8.2640 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -5.2920 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 -1.3580 -3.5950 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 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 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 1 43 -1 M END