IFLAB-ZINC02694442 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 1 0 0 0 0 0999 V2000 -0.2300 1.5790 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 0.0720 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -0.5510 0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1870 -0.2230 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -0.0440 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -2.0770 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -2.7430 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -4.1320 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -4.8800 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -4.2410 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -2.8450 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -2.1440 2.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -2.8780 3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -1.8490 4.3520 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6630 -1.0850 4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -2.4940 5.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 -1.8920 7.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 -2.5930 8.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7400 -2.8010 6.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 -0.6060 8.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -1.1540 3.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 -0.9060 2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 1.9480 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 2.1030 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 1.8440 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -0.1490 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -0.3850 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -0.1850 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -0.5700 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 1.0230 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -2.1790 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -4.6280 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -5.9640 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -4.8690 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -3.5570 3.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -3.4310 3.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 -3.3680 5.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -2.7540 6.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -3.5370 8.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 -1.9630 8.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -2.8290 9.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4900 -3.0160 7.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2590 -2.3330 6.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 -3.7650 6.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 0.0750 8.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8270 -0.0680 7.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9570 -0.8280 8.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7210 -1.4690 6.3670 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1140 -0.7030 6.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 -1.0490 5.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 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 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 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 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 48 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 48 1 M END