IBS-ZINC05024006 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.0980 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5470 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -1.9300 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -2.6770 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -2.0370 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -2.8300 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -2.3430 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -3.3050 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -4.6410 -0.0620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8390 -5.1840 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.3400 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -5.4180 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -6.7720 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -7.4850 2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -6.8440 3.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -5.4890 3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -4.7750 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -7.8190 4.9500 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -2.9950 -0.0730 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 -1.7780 0.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -4.1970 0.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -2.7430 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 1.1780 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 0.0320 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 -2.4250 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -3.7560 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -4.7500 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -4.7400 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -7.2730 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -8.5430 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -4.9880 4.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -3.7170 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -1.9040 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -2.5310 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -3.6440 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 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 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END