IBS-ZINC05235331 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.7870 1.3390 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 0.9070 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 2.9110 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 3.4220 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 4.8940 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 5.3840 -0.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 5.3440 -0.8540 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2990 5.9240 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 5.9550 -2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 6.3150 -2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 5.9470 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 6.1270 -2.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 6.8400 -3.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 6.1260 -2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 6.5730 -3.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8430 5.8190 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 6.3050 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8560 5.9940 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8650 5.2500 0.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9320 4.7720 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9380 5.0380 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 3.9180 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 3.4600 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 2.0740 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 1.7680 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 2.8900 -1.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 0.2780 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.8360 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 1.7850 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 1.4470 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -0.1400 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 0.9750 2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 3.4950 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 3.0120 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 3.3220 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 2.8380 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 4.9950 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 5.4780 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9890 6.6600 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 6.9140 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8430 6.3640 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7790 4.1670 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0020 4.6470 -2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 4.0390 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 1.3910 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 0.7870 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 1.4970 0.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 47 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 39 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 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 M END