IBS-ZINC02372988 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 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 -1.8480 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -2.6770 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -4.0320 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -4.6110 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -3.7720 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -2.3790 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -4.3740 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 -5.6890 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -6.4460 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -5.9380 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -7.8260 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -8.6380 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -8.0740 -0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -8.8140 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -10.2090 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -10.7670 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -9.9540 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 -12.2540 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -12.9920 0.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1610 -12.7570 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -12.5520 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -11.0760 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -10.6280 0.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -14.4770 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -15.3650 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -16.6780 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -16.8560 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -15.3030 -1.2230 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -3.5340 0.0360 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 0.6130 -2.2340 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -4.6590 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -1.7300 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 -8.2200 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -8.3550 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -12.5000 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -12.5760 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -13.1180 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -12.7120 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -15.0820 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -17.4960 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -17.8070 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 -3.3260 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2360 -4.0740 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -2.5960 0.5540 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 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END