IBS-ZINC05302971 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -1.8960 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -2.3590 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -1.4550 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 -0.1190 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 0.3140 0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 0.5480 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 -0.4250 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -1.6040 0.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 2.0090 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 2.6760 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 4.0380 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4750 4.7420 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 4.0870 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 2.7240 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 -3.7070 -0.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -4.6620 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -6.0810 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -8.3790 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -9.3300 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -9.3310 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -8.0410 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -7.0780 0.6740 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 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -2.5860 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9780 -0.2350 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5580 2.1270 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8780 4.5550 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 5.8080 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 4.6420 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 2.2130 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 -4.0230 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -4.4340 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -4.5900 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -6.3090 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -6.1530 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -8.3320 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -8.7440 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -10.3380 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -8.9960 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -8.1170 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -7.6700 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -7.4210 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -6.0800 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -7.0390 -0.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 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 34 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 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 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 M END