IBS-ZINC02131365 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 1.1260 0.5350 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 0.4780 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -0.1170 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -0.3520 -0.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7040 -1.3380 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 0.2630 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 1.4770 1.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -0.6810 1.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -0.3330 2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -0.2280 4.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 0.0870 5.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 -0.0150 5.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -0.5400 -1.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 0.5040 -2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 0.4110 -3.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -0.8480 -3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -0.9870 -4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -2.2230 -4.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -3.3320 -4.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -3.2070 -3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -1.9660 -2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -1.8010 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -2.7400 -0.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 1.1110 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 1.0180 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -0.4680 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 1.5110 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -1.1570 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -0.0940 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 0.4520 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -1.6630 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 0.6120 2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -1.1200 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -1.1720 4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 0.5510 4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 1.4800 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 -0.1230 -5.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 -2.3180 -5.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 -4.2930 -4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 -4.0730 -2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 0.4020 6.3600 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 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 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 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 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 1 41 -1 M END