IBS-ZINC05026851 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.1640 1.3220 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.2010 -3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -0.8050 -2.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -2.1610 -2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -2.8110 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -4.1860 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -4.9300 -2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -4.2710 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -2.8960 -3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -6.4000 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -7.0900 -3.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -7.0750 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -8.4560 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -8.7310 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -9.8300 1.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -7.5870 1.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -6.4750 0.4330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6670 -5.7640 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -5.7880 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -4.4680 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -4.0670 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -5.0620 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -6.6060 -0.2530 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -7.4680 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -7.2460 3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -5.9900 3.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -5.6840 4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -4.3230 3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -3.3020 4.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -9.2850 -1.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 1.6220 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 1.6460 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 1.7820 -3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -0.5260 -3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.5020 -4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -2.2350 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -4.6900 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -4.8410 -3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -2.3860 -3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -3.7640 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -3.0280 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 -4.9390 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -6.6230 2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -8.3830 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -7.2470 4.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -8.0460 3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 -5.6520 5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -6.4510 4.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -4.1300 4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -4.3270 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -2.4100 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -8.0490 -2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 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 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 30 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END