IBS-ZINC02305814 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3900 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 1.1780 -0.6880 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0150 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4320 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.1040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 2.1250 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 1.4800 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 1.8920 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 0.7230 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 -0.3680 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 0.0140 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -0.6500 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 -1.7560 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -2.2480 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 -3.6250 1.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 -4.2110 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 -3.5900 3.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -5.6100 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0140 -6.2210 3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 -7.5270 3.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6810 -8.2320 2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4710 -7.6320 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0270 -6.3280 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2340 -9.8760 2.8170 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2080 0.6750 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5860 3.2330 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 4.2970 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9100 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.7680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 3.1840 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 -2.3810 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 -1.8150 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3950 -1.6230 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 -2.1900 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8370 -5.6710 4.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 -8.0000 4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6520 -8.1870 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 -5.8630 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7220 1.4970 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 -0.1820 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 26 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 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 25 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 3 0 0 0 0 M END