IBS-ZINC06645428 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 48 0 0 0 0 0 0 0 0999 V2000 0.2220 1.0690 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.2500 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.8900 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -1.7830 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 -3.1290 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -3.9870 -2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -3.5530 -3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -2.2280 -3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -1.3250 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -0.0660 -2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 1.2220 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 2.1660 -3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 1.9410 -4.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 0.7080 -5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -0.2630 -4.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 -1.5550 -4.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 -1.9690 -5.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -3.1230 -6.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 -0.9930 -6.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 0.3310 -6.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 1.2320 -7.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 0.8280 -8.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 -0.4790 -9.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -1.3960 -8.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -3.5000 0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -4.8020 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -4.9500 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -5.5340 2.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 1.4470 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 1.7930 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -0.9300 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -1.4710 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -0.1380 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -5.0170 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -4.2390 -4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 1.4940 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 3.1780 -2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 2.2560 -7.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 1.5390 -9.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -0.7820 -10.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -2.4130 -8.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -5.5760 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -4.9250 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -4.5040 1.9110 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 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 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 44 -1 M END