IBS-ZINC04685092 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2220 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0420 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1900 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7160 1.6050 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.4070 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1590 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -2.7470 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -2.8540 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -4.0690 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -4.7980 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -6.2760 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -7.0780 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -8.4510 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -9.0060 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -8.2860 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -6.9070 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -4.1940 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -0.4770 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -6.6300 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -9.0780 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -8.7830 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -6.3240 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -3.2260 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -4.7370 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 21 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 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END