IBS-ZINC02133155 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 61 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5030 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0040 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -0.6800 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.0620 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7700 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -2.0890 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -0.7080 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1720 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -4.9010 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -4.4520 2.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -6.3700 0.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0620 -6.8890 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -7.0160 1.2850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9770 -8.0650 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -6.1980 2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -5.1590 1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -5.4100 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -7.0020 -1.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0100 -6.3640 -0.8060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8180 -6.8910 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -4.8910 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -4.4330 -2.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -8.4500 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -9.5510 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -10.7880 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -10.9140 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -9.8140 -3.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -8.5660 -2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -7.3240 -3.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -6.3530 -2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -5.1820 -2.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -9.9620 -4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -12.2610 -3.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 1.8760 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 1.8510 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 1.8710 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -0.1280 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -2.5890 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -2.6380 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -0.1770 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -6.8460 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -5.6970 2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -5.3110 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -4.1490 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -5.2770 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -4.7360 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -9.4500 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -11.6520 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -7.1780 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -10.1930 -4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -9.0320 -5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -10.7710 -5.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -12.7800 -3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -12.1260 -4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -12.8500 -3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -6.8400 0.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 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 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 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 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 56 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 30 1 0 0 0 0 18 56 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 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END