IBS-ZINC02229479 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -0.6400 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -1.1340 -2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -1.3210 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 -1.7940 -3.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 -0.9370 -4.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1220 -0.3270 -4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 -1.8630 -5.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 -1.9960 -6.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 -3.3360 -7.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 -3.7310 -7.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 -3.9980 -6.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -3.1760 -5.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -3.0810 -3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -4.0320 -3.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8040 -0.9020 -7.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1790 -0.7100 -8.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 0.3120 -9.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 1.1480 -9.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2530 0.9670 -8.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8440 -0.0510 -7.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 -0.2260 -6.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -0.0540 -5.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 1.2640 -5.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 2.0760 -5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 1.5680 -5.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 0.2440 -5.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -0.5640 -5.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 2.6020 -6.6210 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.4940 -6.6530 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 0.3110 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -1.3740 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -2.0840 -2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -0.4000 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -0.3700 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -2.0550 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 -1.3600 -9.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 0.4600 -10.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9460 1.9450 -10.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 1.6220 -7.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2180 -0.8210 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4680 1.6580 -5.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 3.1060 -6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -0.1540 -5.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.5950 -4.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 0.6460 -7.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 1.1350 -5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 2.0350 -7.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 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 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 51 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 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END