IBS-ZINC04090197 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 59 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 0.5120 -0.3560 -0.8950 H 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 3 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0410 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -2.6440 -1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -2.7180 1.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -4.1830 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -4.6970 2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -4.2520 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -6.2200 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -6.7340 3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 -6.3500 4.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -6.7950 4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -4.8270 4.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -4.3130 3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -6.8560 6.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -7.4640 6.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -6.6330 7.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -7.1260 8.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4930 -8.0780 8.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 -7.3180 9.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -8.4230 8.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 -8.6500 9.5090 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 -9.9770 8.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -6.1260 9.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -5.1060 8.7840 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 0.7570 -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 -1.0430 -2.2350 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -4.5570 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -4.5320 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -6.6650 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -6.4930 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -7.8190 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -6.2890 4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -4.5530 5.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -4.3820 5.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -3.2280 3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -4.7580 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -6.1470 7.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -7.5980 10.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -6.3870 9.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -8.1420 7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -9.3540 8.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 -10.2020 9.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6650 -9.6570 7.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -10.8690 8.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -0.3600 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -6.3670 10.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -0.0470 -1.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -0.3300 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -5.6960 11.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 57 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 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 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 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 55 57 1 0 0 0 0 56 59 1 0 0 0 0 57 58 1 0 0 0 0 M END