IFLAB-ZINC04568855 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 2.1110 2.3250 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 3.1800 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 3.9240 1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 3.0240 3.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 2.3120 2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 3.7040 4.2260 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7080 3.1620 5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 3.2610 3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 1.8520 4.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 0.7950 3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 0.9990 2.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -0.5740 3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -1.6770 3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -2.9800 3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -3.2010 4.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -2.1140 4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -0.8160 4.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 0.2020 5.0360 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -1.5250 2.6690 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 5.1940 4.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 6.1680 3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 7.5350 4.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 7.9080 5.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 6.9800 5.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 5.6250 5.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 7.5530 6.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 8.9520 6.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 9.1830 5.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 2.8810 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 1.3140 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 2.2500 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 2.2010 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 3.7580 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 4.9380 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 3.9630 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 2.4260 4.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 4.0200 3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 2.2520 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 1.2820 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 3.8180 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 3.4740 2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 1.6480 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -3.8190 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 -4.2150 4.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 -2.2710 5.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 5.8750 2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 8.2790 3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 4.9240 6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 9.3860 7.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 9.4580 6.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 3.0260 1.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 3.1910 3.1620 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3320 2.2130 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 51 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 52 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END