IBS-ZINC06758310 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -1.9920 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.6020 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -1.8350 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4550 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.1610 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -2.6160 -4.5800 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -1.6700 -5.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -3.9100 -4.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -2.8480 -5.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -1.8200 -6.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -1.4810 -6.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -2.7650 -6.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -3.7210 -5.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -4.0890 -5.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -2.4300 -6.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -1.2780 -6.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -3.4100 -7.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -3.0850 -7.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -4.3690 -7.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1960 -4.0340 -7.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5570 -2.8820 -7.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1070 -5.0140 -7.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5360 -4.6890 -7.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5180 -5.7890 -7.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3980 -5.3760 -8.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -2.5910 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -3.6800 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 0.1420 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.2380 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.9260 -6.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -2.2000 -7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -1.0180 -5.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -0.7900 -7.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -3.2400 -7.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -3.2370 -4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -4.6260 -5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -4.6490 -6.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -4.6920 -4.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 -4.3320 -7.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -2.6090 -6.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 -2.4050 -7.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4460 -4.8440 -8.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 -5.0490 -6.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8180 -5.9360 -7.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7890 -3.6640 -7.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1020 -6.7550 -6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4180 -5.4870 -6.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2190 -4.8020 -9.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9030 -6.0700 -9.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 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 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END