IBS-ZINC02422498 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.8390 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -2.5670 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -2.3980 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -2.7520 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 -3.2870 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 -3.6930 1.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -3.6150 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5660 -4.0480 3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 -3.9640 5.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 -3.4550 5.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -3.0260 4.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -3.0970 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -2.6800 2.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 -3.2370 -0.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -2.7160 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -2.5320 -2.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 -3.6810 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 -2.5100 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8060 -2.9500 -2.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7190 -2.0320 -3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6450 -0.8950 -2.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8110 -2.4080 -4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7600 -1.4590 -4.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7760 -1.8160 -5.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8580 -3.1120 -5.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9220 -4.0570 -5.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8960 -3.7120 -4.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9720 -3.4950 -6.7900 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 0.5120 -0.3560 -0.8950 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 -7.5000 -4.4440 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1080 -4.2970 5.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 -3.3990 6.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -2.6330 5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -2.1560 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -2.7780 -3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 -4.0380 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3930 -4.4880 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2100 -2.1520 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1930 -1.7030 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6970 -0.4470 -4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5110 -1.0840 -5.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9920 -5.0670 -5.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1640 -4.4490 -4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6540 -3.3280 -7.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2180 -4.5480 -6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8520 -2.8860 -6.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 2 0 0 0 0 8 17 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 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END