IBS-ZINC02198594 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7430 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8240 -1.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.1160 -1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 0.0550 -2.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -1.0600 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -2.1960 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -2.3920 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -1.4380 -2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -0.2980 -3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -0.1190 -2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 0.7030 -4.0180 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -0.4680 -3.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -1.4590 -3.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 -0.3430 -4.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2180 -1.3030 -4.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9290 -2.2780 -3.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5770 -1.1700 -4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5420 -2.1600 -4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7990 -1.9870 -5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0610 -0.8530 -5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1320 0.0640 -5.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9190 -0.0580 -5.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.0400 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -1.3820 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -1.3580 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -2.9330 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -3.2810 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 0.7630 -3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5280 0.4350 -4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3100 -3.0350 -3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5680 -2.7290 -4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0420 -0.7150 -6.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1840 0.7110 -5.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 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 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 M END