IFLAB-ZINC04194962 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 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 -0.3820 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -0.5120 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -2.0420 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.5600 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -1.9610 -1.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.4990 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -2.9160 -2.4250 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -2.0980 -3.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -4.1350 -2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -3.3110 -2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -2.4870 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -2.7880 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -3.9170 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -4.7520 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -4.4420 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -5.9600 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 -6.2290 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -6.7630 0.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -7.9600 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -8.6780 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -9.7810 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -10.4400 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -9.9960 2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -8.8940 2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -8.2280 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -7.1390 3.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -6.7320 4.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 -4.2110 -1.2900 F 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 1.7730 -0.1540 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.1410 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -2.4030 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -2.4010 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -2.2780 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -3.6450 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.2240 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -0.0490 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -1.6040 -3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -2.1410 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -5.0850 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -6.5480 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -7.6710 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -8.6210 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -10.1300 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -11.3030 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -10.5130 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -8.5480 3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -7.5430 4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -6.4890 3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -5.8540 4.6650 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 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 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 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 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 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 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 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END