IBS-ZINC06661138 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5040 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0030 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -0.6850 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -2.0950 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -2.6940 -0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.7940 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.1780 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -0.7720 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -0.1300 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -0.8710 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -2.2630 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -2.9160 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -4.4220 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -2.9860 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -2.2540 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1090 -3.2170 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 -4.4120 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3730 -2.7500 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4450 -3.6360 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7420 -3.1410 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7970 -4.0310 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5180 -5.3910 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2060 -5.8120 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2190 -4.9400 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8810 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.8640 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8560 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -0.1480 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 0.9480 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 -0.3760 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -4.7900 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -4.8140 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -4.7510 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -1.6310 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0130 -1.6220 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5360 -1.7970 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9230 -2.0760 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8150 -3.6760 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3190 -6.1120 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9840 -6.8690 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 M END