IBS-ZINC04042899 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 0.0450 1.2010 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.0460 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -0.2270 0.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -0.7220 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -2.0540 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -2.4360 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -3.5960 0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -1.2660 0.1350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -0.0870 0.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8540 0.5060 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 0.7450 1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 2.1290 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 2.9130 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 2.3560 3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 0.9660 3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 0.1760 2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 3.1310 4.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 4.5780 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 2.5100 6.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 -1.2130 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 -1.2620 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0810 -1.4470 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6930 -1.3900 2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2060 -1.6110 2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8920 -1.5240 4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1820 -1.0910 5.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -2.9610 -0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 1.2360 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 1.0810 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 2.1330 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 2.6220 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 3.9820 2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 0.4580 4.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -0.8960 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 5.0380 4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 5.0060 5.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 4.8700 4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 1.8150 6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 1.9760 6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 3.2560 6.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2490 -0.3100 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 -2.0780 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 -2.0790 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3370 -0.3330 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5260 -0.6630 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3170 -2.4100 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 -2.1500 3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4670 -0.4160 3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6780 -0.8630 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4240 -2.5980 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -3.8370 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1030 -1.8930 4.2400 O 0 5 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 27 51 1 0 0 0 0 M CHG 1 52 -1 M END