IBS-ZINC04085258 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 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 1.7350 -0.0630 1.2800 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 -0.4340 -0.9880 3.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.9690 1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -2.5920 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -1.9450 2.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -4.0920 1.7620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7860 -4.4160 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -4.7260 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -5.8420 3.7640 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -5.8650 2.6170 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2930 -6.6090 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -4.4670 2.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -4.0090 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -3.0460 1.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -4.8510 3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -6.0080 3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -6.9680 4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4430 -6.8180 4.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 -5.7030 4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6990 -4.6960 3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -3.6520 3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -5.5260 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 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 0.2300 -2.4860 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -7.8400 4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 -7.5740 5.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 -5.5940 4.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2910 -3.8250 3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -2.9390 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -4.1200 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -3.1310 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -6.3190 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -5.9650 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -4.8640 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -0.2240 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 1.1640 2.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 1.3590 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 44 1 0 0 0 0 8 9 1 0 0 0 0 8 32 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 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 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 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 24 2 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 44 45 1 0 0 0 0 M END