IBS-ZINC02130888 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 0.0760 2.0390 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 1.5160 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 1.3910 -1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 0.1610 -0.1050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6440 -0.5460 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 0.2700 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 0.6660 0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -0.0370 2.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -0.3280 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 0.0660 3.6140 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2910 0.8120 3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -1.2860 4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 -1.8290 3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -3.1170 3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -3.4910 4.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 0.5030 4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 0.2730 4.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -0.4210 -1.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 0.3290 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -0.0810 -3.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -1.4130 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -1.8970 -4.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 -3.2230 -4.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -4.0760 -4.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -3.6060 -3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -2.2790 -2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -1.7540 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -2.4910 -0.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 2.9510 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 2.2940 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 1.2980 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 2.2790 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 0.6280 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 1.1230 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 2.3410 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -2.0300 4.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -1.1810 5.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -1.0720 3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -2.0310 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 1.3580 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 -1.2360 -5.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -3.5890 -5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -5.1070 -4.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -4.2740 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 -3.6580 2.9070 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9250 1.0500 5.7370 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 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 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M CHG 1 45 -1 M CHG 1 46 -1 M END