IBS-ZINC06669673 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.2460 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.0850 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -0.4110 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -0.1260 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 0.1730 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 0.4490 0.1300 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 0.1380 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 -0.1570 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 -0.4520 3.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -0.6520 4.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 -0.4590 4.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -0.1630 3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -0.1770 4.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 0.1750 2.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9090 0.5390 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1600 2.0330 2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 2.7170 3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 4.0940 3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6220 4.8060 2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 4.1400 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 2.7620 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9870 -0.8510 5.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 -2.3710 6.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -3.0990 5.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 0.2910 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -0.2860 -1.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -0.6370 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 2.1770 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.9390 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 1.8650 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 0.0440 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -1.5000 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 0.0610 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0740 0.1210 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 2.1790 4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6660 4.6050 4.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7990 5.8780 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 4.6940 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 2.2620 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7820 -0.3920 6.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -0.4710 6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 1.3370 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -0.2550 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -0.3210 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -1.7200 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -0.4420 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -2.7110 7.2620 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 14 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 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 47 -1 M END