CHEMBRIDGE-ZINC04820596 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 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 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1030 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5350 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.9300 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -2.6760 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -2.0300 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.7530 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -4.1760 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -2.6160 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8220 -2.4830 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0720 -3.1380 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0210 -3.0880 -2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0970 -3.8740 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7700 -4.3730 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5460 -3.9230 -0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6160 -5.2550 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1640 -5.6930 1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9480 -6.5110 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2040 -6.9110 1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6560 -6.4740 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8750 -5.6510 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0500 -7.7950 2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6570 -8.1750 3.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -3.4180 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6470 -4.0550 2.0510 N 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 -2.3290 1.1820 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 0.0440 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -3.7550 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -4.6310 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 -1.8780 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9440 -2.5470 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0110 -4.0550 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1940 -5.3840 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5980 -6.8490 3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6260 -6.7840 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2270 -5.3100 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2600 -8.1800 2.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7790 -8.7590 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 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 23 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 26 27 3 0 0 0 0 44 45 1 0 0 0 0 M END