IBS-ZINC02128954 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7890 -2.4840 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.5900 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -3.2160 -0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -2.3710 1.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -1.8700 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -2.8880 1.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9580 -3.8470 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 -3.0740 2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -4.1410 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -4.6950 2.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 -1.9120 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -0.8880 0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -2.4260 -1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -3.1860 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -3.5660 -0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -3.5430 -2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -4.3230 -2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -4.6300 -4.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -4.1670 -5.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -3.3920 -5.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -3.0740 -3.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -2.2990 -3.7800 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -1.9690 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -2.0070 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -1.3300 -2.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 -2.1350 3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2620 -3.3740 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -4.6850 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -5.2340 -4.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -4.4140 -6.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -3.0360 -6.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 -4.4740 4.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 -2.1790 0.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7480 -1.5220 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -5.1640 4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 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 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 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 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 46 49 1 0 0 0 0 47 48 1 0 0 0 0 M END