IBS-ZINC00550502 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8250 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -2.6720 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -4.0450 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -4.5830 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -3.7420 2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -2.3530 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -1.5260 3.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -4.3140 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -3.5290 4.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -4.0730 5.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -3.2580 6.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -2.0520 6.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -3.8300 7.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -5.2220 7.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -5.7620 9.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9900 -4.9290 10.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 -3.5320 9.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -2.9870 8.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 -2.9970 10.9750 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 -2.0540 11.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 -4.0360 11.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 -5.1660 11.1550 N 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 -1.0200 -0.3810 0.0100 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 -0.2580 -2.2580 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.6970 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -5.6550 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -1.2980 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -5.3850 3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -5.0350 5.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -5.8690 7.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 -6.8350 9.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 -1.9150 8.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5320 -3.9400 12.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 M END