IBS-ZINC05443564 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -0.7630 -1.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.6340 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -1.0850 -3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -1.2170 -4.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.9040 -4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.4550 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.3250 -2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -1.0360 -6.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -0.6970 -6.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9840 -0.2150 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -0.8420 2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -1.5050 3.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -1.2540 2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -1.9460 2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -2.2920 3.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -2.3710 4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -0.8170 3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -0.0130 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 0.0070 3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -0.7720 4.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 -1.5730 5.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -1.5940 4.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1880 -0.7500 5.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 -1.5750 6.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -1.3280 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -1.5650 -5.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -0.2120 -3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 0.0200 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 0.3480 -5.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -0.8470 -6.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 -1.3320 -5.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 0.3960 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -1.2740 2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -2.8550 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -1.5040 4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -3.2540 4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -3.3950 3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -1.9980 5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 0.5920 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 0.6290 3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 -2.1770 6.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -2.2140 4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 -1.4640 6.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5580 -1.2740 7.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 -2.6160 6.2570 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 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 14 1 M END