IFLAB-ZINC04569431 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.8330 2.4040 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.0280 0.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 0.1930 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -1.1550 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -2.0010 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -1.5050 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 -0.1620 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 0.6870 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 -2.5870 0.1320 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2930 -1.7960 -0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 -3.7490 -0.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 -3.0650 1.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 -2.3180 2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9330 -3.3910 3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7090 -4.3370 3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 -4.3070 2.3170 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4550 -5.1680 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 -4.3200 2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -5.6160 2.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -5.8920 2.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -5.0340 2.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -7.2380 3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -7.5020 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -8.7600 3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -9.7600 4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -9.5050 4.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -8.2490 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -11.1080 4.5840 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1260 -11.3350 4.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -11.9900 4.7820 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1050 2.9580 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 2.8150 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 2.4880 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -1.5430 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -3.0510 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 0.2230 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 1.7360 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 -1.5810 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 -1.8330 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1850 -2.9480 4.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7900 -3.9150 3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -3.9530 4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 -5.3460 3.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -4.1570 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -3.5280 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -6.2760 3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -6.7220 3.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -8.9650 4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -10.2900 4.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -8.0500 3.5160 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 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 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 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 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END