IBS-ZINC02398228 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 65 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.9440 -2.7370 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -2.0490 -3.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -4.2200 -2.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -3.2090 -3.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -2.3210 -3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -2.9860 -4.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -4.1790 -3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -4.3160 -2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -5.3840 -2.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -6.3450 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -7.4890 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -8.4510 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 -8.3170 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -7.2210 -2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -6.2090 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -5.1180 -3.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -3.2280 -5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -3.6870 -5.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 -3.9360 -6.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 -5.1900 -7.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 -5.4230 -8.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 -4.3990 -9.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8200 -3.1370 -9.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4740 -2.9110 -7.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3400 -2.1280 -9.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4960 -0.8590 -9.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9840 -4.6270 -10.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7710 -5.9460 -11.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8480 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -1.3540 -3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -2.1920 -4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -7.6050 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -9.3290 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 -9.0930 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 -7.1310 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -2.3080 -6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -4.0020 -5.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 -4.6070 -4.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 -2.9130 -5.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 -5.9890 -6.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 -6.4040 -9.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 -1.9330 -7.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1640 -0.9620 -8.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5240 -0.5010 -8.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9190 -0.1460 -9.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0860 -5.9920 -12.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 -6.1960 -11.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3520 -6.6580 -10.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 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 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 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 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 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 34 35 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 M END