IFLAB-ZINC04139568 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8350 -1.5960 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.1300 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -0.9430 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -0.3700 4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 0.9090 4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4540 3.2440 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -0.3720 2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 0.3380 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 0.5270 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 -0.1830 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 0.6660 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0890 0.1630 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 0.8460 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8360 0.3850 -2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -0.7590 -1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6080 -1.4410 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 -0.9780 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -0.9070 -1.4110 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -1.3270 -1.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 0.2370 -2.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -2.3100 -2.0500 C 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 -1.0040 -1.9700 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -0.9160 4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 1.5160 5.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -1.4490 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -0.1460 3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 1.4130 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -0.0260 3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 0.3000 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 1.6040 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 0.1810 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -1.2580 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7510 0.3930 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 1.7510 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 1.7400 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8290 0.9180 -3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1890 -1.1200 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2050 -2.3350 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 -1.5080 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.6150 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -3.1290 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -2.6400 -2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -2.0040 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 0.0930 1.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 0.0620 1.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 52 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 52 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 53 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 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 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END