IBS-ZINC02106814 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.5000 -2.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -2.7090 -2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -3.0540 -3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 -3.2100 -3.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -3.2010 -4.8550 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -3.3740 -6.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -2.1710 -7.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -1.8770 -6.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.0860 -7.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -0.3810 -9.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 0.2730 -9.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 0.2440 -9.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -0.4450 -8.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -1.1190 -7.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -1.8780 -6.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -2.0700 -5.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -2.3270 -6.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -3.1990 -4.8590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6950 -2.7180 -3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -2.5110 -3.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -4.6270 -5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -1.8000 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -3.5220 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 -3.4300 -5.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -4.2890 -6.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -1.3020 -6.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -2.4010 -8.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -0.3530 -9.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 0.8280 -10.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 0.7770 -9.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -0.4600 -7.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -5.2740 -4.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -4.6370 -5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -4.9870 -6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 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 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 M END