IBS-ZINC05354076 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 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 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 0.1580 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.4560 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -1.8370 -3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -2.6120 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.0030 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -2.8300 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -3.6980 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -4.2080 1.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -3.8090 1.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -2.9370 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -2.2420 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -1.3630 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -0.7160 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -0.9340 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -1.8040 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -2.4650 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -3.3220 1.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6300 -0.2920 -2.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 0.5910 -3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6300 1.2080 -3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0800 2.3960 -3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2570 2.9630 -3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9850 2.3410 -4.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5350 1.1520 -5.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3540 0.5880 -4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4490 0.3710 -6.2860 Cl 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 1.1250 1.2360 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 0.1440 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -2.3090 -4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -3.6890 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -3.8960 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -1.1900 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -0.0360 -2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -1.9700 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -2.9040 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 1.3780 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 0.0320 -3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5120 2.8820 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6080 3.8910 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9040 2.7840 -4.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 -0.3380 -5.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 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 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 47 1 0 0 0 0 M END