IBS-ZINC04870515 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 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 -1.4980 -1.8460 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -2.3920 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -3.7530 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -4.5930 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -4.0380 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -2.6760 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -6.0520 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -6.5310 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -6.9530 -0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3800 -7.2660 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -8.7420 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -9.3450 -2.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -9.3160 -0.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -8.3240 0.5780 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1750 -8.3390 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -8.6120 1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -8.4120 3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -8.6760 4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -9.1400 3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -9.3400 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -9.0810 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -9.4270 5.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -10.6800 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -11.4890 -1.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -12.7940 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -13.3100 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -12.4340 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -11.1410 0.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -6.4740 -2.2940 O 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 -3.6400 -1.7440 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 -4.1770 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -4.6820 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -2.2460 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -8.0500 3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -8.5190 5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -9.7030 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -9.2410 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -10.4640 5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -9.2590 4.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -8.7650 5.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -13.4480 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -14.3710 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -12.8040 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -6.4940 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 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 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 32 2 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 26 1 0 0 0 0 17 18 1 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 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 M END