IBS-ZINC04428013 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 3.2280 1.7090 -3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 0.3800 -3.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 -0.3780 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 0.2130 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 1.5490 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 2.2950 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 2.1460 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 3.5350 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 4.2250 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 5.6120 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 6.3240 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 5.6580 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 4.2470 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9940 3.6100 -0.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 4.2650 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 5.6520 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0280 6.3660 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 7.8000 0.4240 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7820 8.3310 1.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 8.4820 -0.2440 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1590 3.4810 0.3300 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1040 4.0870 0.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.2630 0.3280 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2920 -1.8010 -2.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 -2.4590 -1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 2.2950 -4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -0.0740 -4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -0.3680 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 3.3360 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 1.5930 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 6.1310 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 3.7140 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 6.1640 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 7.4420 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 -2.3700 -4.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -3.3030 -4.1440 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 35 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 21 1 M CHG 1 23 -1 M END