IBS-ZINC02342060 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.0550 2.1110 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 0.6030 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 0.1240 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -0.1800 0.1550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5610 0.0080 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 0.2780 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 0.2010 -2.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 0.7750 -0.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 1.0190 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 2.0260 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 1.6220 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 1.1510 -1.8630 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6130 1.9700 -2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 0.0320 -2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 -1.1370 -2.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -1.6360 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -2.4910 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -2.1340 1.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -3.9100 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -4.8870 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -6.2290 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -6.5830 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -5.5930 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -4.2410 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -3.2840 -1.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -2.0710 -0.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 2.6520 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 2.5150 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 2.3310 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 0.4500 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 0.2390 2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -0.9280 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 0.7020 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 0.0700 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 1.4140 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 2.0130 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 3.0390 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1030 0.8190 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8400 2.4540 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -4.6060 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -6.9970 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -7.6280 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -5.8760 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 0.4390 -4.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 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 12 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 44 -1 M END