IBS-ZINC02290846 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 67 0 0 0 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8470 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -2.6790 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -4.0500 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -4.6040 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -3.7910 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -2.4030 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -1.5260 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 -2.0950 0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3060 -3.0610 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3210 -1.3180 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4340 -1.8150 0.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1550 0.0870 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 0.6130 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 -0.2260 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 2.0160 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 2.3230 0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0160 1.1490 0.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4790 1.0730 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 3.0000 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 2.7940 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3970 4.4260 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 2.7800 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -6.3550 -0.0130 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -6.6140 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -6.8880 -0.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -6.8520 1.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -6.4370 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -7.2930 3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -6.9040 4.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -7.6890 5.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 -8.8630 5.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 -9.2520 4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -8.4640 3.7050 C 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -2.2540 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -4.6940 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -4.2270 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8270 1.0480 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8950 1.9450 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8030 0.1680 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 2.9500 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 3.5050 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 1.7780 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 4.5730 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 5.1370 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 4.5820 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 1.7640 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 3.4920 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 2.9270 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -7.4170 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 -5.3920 2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 -6.5540 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -5.9860 4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -7.3850 6.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -9.4770 6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -10.1690 4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 -8.7660 2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 45 1 0 0 0 0 21 46 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 25 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 35 2 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 M END