IBS-ZINC04729157 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 32 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 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1390 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.8690 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -2.6250 2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0030 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -2.8140 0.0310 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0980 -4.0300 0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -2.2650 -0.9020 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5870 -2.5500 4.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -2.8010 5.4340 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1000 -1.8620 5.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -3.3700 6.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -4.5590 6.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -2.5560 7.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -3.1720 8.5960 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 1.1650 1.2170 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.1010 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -3.7040 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 -3.5010 3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -1.9130 4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -2.4050 9.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -3.6810 9.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -3.8950 8.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -3.3700 4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -3.7550 4.9740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -4.6340 4.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 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 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END