IBS-ZINC02130687 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 1.4220 1.0110 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -0.4470 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -1.0190 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -0.5280 0.0070 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9510 0.1860 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -0.0690 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -0.0570 -2.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 0.3130 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 0.8250 -2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 2.3240 -2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 2.8990 -3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 2.1150 -4.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -1.8450 0.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -1.8260 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -0.7920 1.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -3.1190 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 -3.1900 2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -4.4360 2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -5.6020 2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -5.5260 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -4.2780 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -4.1880 0.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -5.0260 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -3.0110 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -3.0650 -1.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 1.0690 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 1.4550 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 1.6300 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -0.9950 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -0.5020 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -2.0860 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.9080 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 0.2310 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 0.5700 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 0.3050 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 2.5640 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 2.8330 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -2.2830 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 -4.4970 3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -6.5720 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -6.4420 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 4.1140 -3.0190 O 0 5 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 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 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 6 1 0 0 0 0 4 13 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 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 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 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 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 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 42 -1 M END