IBS-ZINC05047318 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -1.9650 -2.6580 -3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -1.2270 -3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -0.3770 -3.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 1.3880 -5.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 0.7880 -3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 0.6900 -4.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -0.6210 -4.7720 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 2.2190 -3.1680 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 1.5510 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 2.0300 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 1.6510 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 1.3450 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2370 1.0270 2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2900 1.1500 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8050 1.5320 0.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7070 0.9100 1.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0950 -0.2680 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4240 -0.4880 2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3840 0.4540 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0240 1.6250 1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6840 1.8710 1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2920 3.1230 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1240 3.3310 0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2290 4.0380 0.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7710 5.2480 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7930 0.4810 -2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 -0.0570 -1.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 -3.3060 -3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -2.9460 -3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -2.7560 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 2.7000 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 1.3500 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 0.7400 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3540 -1.0080 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7190 -1.4000 3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4210 0.2700 2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7780 2.3530 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0620 5.7670 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2840 4.9870 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6230 5.8970 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 0.0920 -3.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7490 -0.6190 -3.3290 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 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 41 42 1 0 0 0 0 M END