IBS-ZINC02104422 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 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 0.6250 -0.6180 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.0060 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -2.6320 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.8700 3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4750 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1440 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -2.5370 4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -3.7510 4.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -1.8000 5.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -2.4260 6.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -3.7510 6.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -4.3870 7.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 -3.6320 8.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 -2.2360 8.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 -1.6790 7.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 -1.3690 9.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7230 -2.1310 10.6700 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7390 -2.3720 11.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 -3.4280 10.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -4.2920 9.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 -5.4850 9.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -1.2770 11.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7540 -0.8450 11.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4480 -0.0610 12.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.2940 13.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 -0.1410 13.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8800 -0.9220 12.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 0.2040 14.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2780 15.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 1.0640 14.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 1.4740 13.9900 C 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 0.2260 -2.5930 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -3.7100 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1180 3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 1.2220 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 -0.8320 5.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 -5.4660 7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 -1.0370 9.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -0.4980 9.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4580 -3.1990 9.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 -3.9470 11.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 -1.1210 10.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 0.2750 12.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -1.2570 13.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 0.0680 16.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 0.0970 14.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -1.3680 15.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2880 2.0810 14.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4800 0.5930 13.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8120 2.0580 13.0710 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 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 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END