IBS-ZINC05347439 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 0.1080 1.5080 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 0.2070 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -0.5200 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 0.1040 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 1.4160 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 2.1120 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 3.4790 -1.4900 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2500 4.0780 -1.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 3.9610 -1.8250 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7970 -0.6430 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -2.1160 -0.3980 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2510 -2.2240 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -2.6840 0.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8770 -2.8280 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -1.7880 0.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -2.3060 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -3.6340 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -4.6330 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0500 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 -2.8020 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -3.4600 0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 2.0200 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -0.2340 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 1.8710 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -0.2350 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 -0.4910 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -2.4570 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -1.6190 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -4.0420 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -3.4740 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -4.8930 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -5.5590 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -3.9360 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -4.7670 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 -2.6320 -1.2010 O 0 5 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 15 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 35 -1 M END