IBS-ZINC04817182 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 0.0820 1.4230 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 0.0020 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -0.9340 1.1730 P 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -0.6500 2.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -2.6860 0.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1110 -2.9140 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -3.5610 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -4.0750 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -4.8780 2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -5.1660 3.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -4.6500 3.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -3.8440 2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -6.0260 4.9700 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7150 -6.4810 4.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -6.2800 5.9320 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8500 -2.9350 0.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -3.0520 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -3.2200 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -3.3340 -2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -3.2830 -3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -3.1170 -3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -2.9960 -1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -0.6330 1.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 0.6260 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 1.8460 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 1.8360 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.6700 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -3.8510 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -5.2810 2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -4.8760 4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -3.4380 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -3.0200 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -3.2600 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -3.4650 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -3.3740 -4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -3.0780 -3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -2.8620 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 0.5880 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 1.4100 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 0.8390 2.6980 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 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 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 8 28 1 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 13 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END