IBS-ZINC05452386 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 -1.0410 1.3800 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -0.0480 0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -0.7110 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -0.1380 2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -2.1470 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8920 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.2780 3.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -3.0740 4.7210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2860 -3.9880 4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -2.2640 5.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -2.0180 5.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -2.4450 4.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -3.4260 4.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -3.0500 4.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -2.7560 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -3.9370 -0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -1.9690 -1.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -0.6680 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -0.0150 -2.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 1.9620 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 1.6360 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 1.6060 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -3.9640 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -1.3090 3.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -2.8200 6.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -1.3100 5.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.3540 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -1.3230 6.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -4.1560 6.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -4.3570 6.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -1.1900 6.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 M END