IBS-ZINC04026182 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 69 0 0 1 0 0 0 0 0999 V2000 -0.0450 1.3950 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -0.1590 0.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5640 -0.7260 1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -2.1330 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -2.3080 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -2.7860 0.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -1.9510 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -0.5000 -0.7510 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7460 0.1090 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -0.1190 -2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -0.6450 -2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -0.1410 -1.0990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0960 0.9550 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -0.5640 0.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1530 0.0070 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -2.0360 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -2.2720 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 -1.8240 -0.7240 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6750 -0.4440 -1.2270 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1760 0.3440 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 -0.3910 -2.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 -1.8210 -3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -2.7490 -1.9550 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9470 -3.1600 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -3.9510 -2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -3.9220 -2.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 -5.1660 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3050 -6.3090 -1.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 -7.3820 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 -7.4050 0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 -8.5170 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -9.7870 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7450 -10.9780 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 -10.7680 -2.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 -1.7300 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 1.7610 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 1.9340 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 1.6930 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -0.0670 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -0.6680 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -2.2980 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -2.9160 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -2.0700 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -2.6700 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 0.9730 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -0.4880 -2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -0.2950 -3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -1.7370 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -2.7060 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -2.3230 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -3.3310 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -1.7310 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 -0.0900 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 0.3360 -3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 -2.0450 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 -1.9310 -3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -5.3710 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 -4.9360 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1170 -8.1940 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6720 -8.7090 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -10.0790 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3950 -9.5960 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8630 -0.9400 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 -1.5080 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 -2.6660 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 -12.0420 -0.5070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 M CHG 1 66 -1 M END