IBS-ZINC04888546 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.0020 2.3710 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 1.4640 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 0.5850 -2.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 1.7120 -0.9520 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3280 0.5510 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 0.8010 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 -0.0810 -3.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 2.1290 -2.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 2.8130 -1.8570 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2260 3.3840 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 3.7570 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 3.6470 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 4.5350 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3670 5.5360 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 5.6550 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 4.7710 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 4.8890 -0.3430 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 2.7790 -4.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 4.1390 -4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 4.7840 -5.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 4.0910 -6.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 2.7330 -6.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 2.0880 -5.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 4.7910 -7.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 6.0330 -7.8540 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4690 -0.4760 -0.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 2.4600 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 1.9440 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 3.3540 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 2.8810 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1030 4.4440 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 6.2230 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 6.4280 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 4.7470 -3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 5.8430 -5.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 2.1670 -7.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 1.0330 -5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 1.9140 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0720 4.0910 -8.6390 O 0 0 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 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 26 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 18 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 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 39 2 0 0 0 0 M CHG 1 25 -1 M END