IBS-ZINC05462725 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 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 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -0.7580 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 -1.2360 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -1.4860 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -1.2520 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -0.7760 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -1.5160 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 -2.0010 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 -2.0840 4.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 -1.6610 4.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -1.6110 5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -1.3450 3.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 -2.5380 4.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7310 -2.8890 4.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8010 -2.5640 6.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0130 -3.0160 6.7660 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.4980 -3.8040 6.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 -3.5330 8.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9600 -3.6770 8.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1060 -2.4400 8.2790 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.3280 -1.4060 9.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2120 -3.1060 7.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9880 -1.8260 6.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 -1.9560 0.0180 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 0.5120 -0.3560 -0.8950 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 -1.5680 -0.5640 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -1.4150 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.5980 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0540 -2.2540 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 -2.2850 6.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1670 -4.5020 8.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9940 -2.8250 8.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3700 -4.6810 8.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7740 -3.4620 10.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4510 -0.9370 7.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5420 -1.6250 6.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 -2.9200 0.0110 H 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END