IBS-ZINC04301917 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 1 0 0 0 0 0999 V2000 -0.4490 1.0710 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.4130 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -0.6720 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -0.9030 2.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -1.1070 3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -1.3730 4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -1.5250 5.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -1.7880 6.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -1.8990 7.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -1.7520 6.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -1.4910 5.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -1.3140 4.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -1.0810 3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -0.8360 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -0.6160 1.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 -0.7920 2.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 -1.0330 3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -1.0600 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 -0.2070 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -0.4920 0.8340 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3180 0.4160 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -1.6300 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -2.7910 0.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 1.6420 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 1.2420 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 1.4720 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -0.9640 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -0.7950 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -1.4410 4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -1.9080 7.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -2.1050 8.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -1.8370 7.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 -0.2150 3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 -1.9830 3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1680 -0.6810 3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -2.0870 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2840 0.8520 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9260 -0.4330 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -1.2550 -1.4030 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 15 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 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 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 39 -1 M END