IBS-ZINC04733425 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 0.0500 1.5110 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.0040 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.8210 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -2.1300 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -2.0040 -0.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.7590 -1.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -3.1180 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -3.2760 1.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -4.3900 0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -5.5260 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -6.7360 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -7.9430 1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -9.1120 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -9.1280 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -7.9350 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -6.7600 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -10.3140 -1.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -11.5380 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -10.3560 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -0.4080 2.5550 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0840 -0.2320 3.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.2160 3.1890 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0750 1.8810 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 1.8780 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 1.8630 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -3.4010 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -2.8120 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -3.9680 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -3.2620 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -5.5100 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -7.9320 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -10.0320 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -7.9550 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -5.8450 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -11.3310 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -12.3060 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 -11.8860 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -10.1700 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -11.3380 -2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -9.5920 -2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 30 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END