IBS-ZINC02212749 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1590 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.4560 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -1.8360 -3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -2.6060 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.9960 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.7520 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 0.3790 -4.2360 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9780 1.3870 -4.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 0.4300 -4.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 0.7800 -3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 0.4300 -3.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 0.5620 -3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 -0.1010 -5.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 -0.1400 -5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -0.5370 -6.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 -1.0600 -7.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.2390 -5.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.4910 -6.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.7230 -6.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 0.4600 -7.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 1.5940 -8.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 1.4180 -1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 2.7070 -1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 3.2970 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 2.6150 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 1.3380 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 0.7340 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -0.5190 -1.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 1.2370 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -2.3120 -4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -3.6840 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -2.9830 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -1.3690 -6.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -0.6660 -5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 1.6000 -6.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 0.8980 -7.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -0.4180 -8.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 0.2850 -6.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 1.4970 -8.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 3.2420 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7350 4.2950 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 3.0840 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 0.8110 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 -1.2220 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 31 50 1 0 0 0 0 M END