IFLAB-ZINC05258922 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 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 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -2.5210 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -4.5000 -3.7290 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9490 -3.8430 -4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -5.9090 -4.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -5.8460 -4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -4.7790 -4.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -6.9750 -4.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -6.9170 -5.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -7.9990 -5.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 -7.6570 -5.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -6.3450 -5.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -5.4890 -5.1150 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -5.6940 -5.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 -6.6730 -6.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3990 -8.0340 -5.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -8.6700 -6.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -9.3680 -5.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -10.0680 -4.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -9.8520 -6.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -11.2170 -6.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -11.5860 -7.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 -4.5460 -3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -4.1900 -2.4150 O 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 0.5290 -0.3650 0.8850 H 0 0 0 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 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -2.1600 -3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -2.1440 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -6.3220 -4.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -6.5440 -3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -7.8280 -4.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0210 -5.4550 -4.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -4.7830 -6.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4380 -6.2960 -6.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -6.7800 -7.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6100 -7.8990 -4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1550 -8.6820 -6.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -8.9540 -7.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -9.5530 -5.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -11.3010 -5.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -11.8940 -6.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -11.5020 -8.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -10.9090 -8.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -12.6110 -7.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -3.9900 -2.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -4.3500 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 -4.9820 -4.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 -4.9940 -4.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 55 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 55 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 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 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 55 56 1 0 0 0 0 57 58 1 0 0 0 0 M END