IBS-ZINC02444071 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 -0.1030 1.5040 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 0.0160 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -0.6220 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -2.0140 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -2.6990 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -1.9960 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -2.5890 0.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -0.6660 0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 0.0580 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 0.4240 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 1.6660 2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 1.9600 3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 1.0120 4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -0.1590 3.9370 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -0.4710 2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -4.1850 0.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4460 -4.4250 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -4.6480 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -3.8680 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -2.6540 -0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -4.3340 0.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -5.9080 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -6.0610 2.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -6.9520 0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -8.2050 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -4.8900 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -4.7330 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -5.3820 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -6.1890 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -6.3460 -1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -5.7010 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -5.8600 0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -6.7090 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -5.2270 -4.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -5.9250 -5.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 1.8750 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 1.7160 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 1.9960 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -0.0670 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 0.9650 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -0.5750 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 2.3880 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 2.9170 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 1.2320 5.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -1.4380 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 -5.2380 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 -3.7590 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -8.9560 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -8.1020 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -8.5150 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -4.1050 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -6.6940 -3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -6.9740 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -6.3140 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -7.7120 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -6.7480 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -5.7160 -6.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -6.9970 -5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -5.5960 -5.4830 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 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 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 51 1 0 0 0 0 28 29 1 0 0 0 0 28 34 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END