IBS-ZINC04024631 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 46 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3810 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -0.7290 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 0.0010 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 1.4170 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 2.1260 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 1.8570 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 0.7530 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -0.3740 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -1.2870 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 0.7700 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3990 -0.0270 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5170 0.7540 1.3220 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8100 1.2140 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9930 -0.5950 1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 -0.3360 3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 0.8110 3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2380 2.0550 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 1.6330 1.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5850 1.0500 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 2.6920 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6810 3.8390 0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 2.1310 -0.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6940 2.7200 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 3.7750 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 3.2980 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 1.8920 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -0.5370 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -1.8090 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 3.2060 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 -1.2150 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5900 -1.0920 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0140 -1.1610 3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9420 0.8820 4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4880 2.7190 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1990 2.5680 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4550 3.2000 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 1.9340 -2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 4.7650 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.7770 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 3.9100 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 3.4050 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END