IBS-ZINC04812944 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 0.1040 1.2010 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 1.0260 2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 2.9910 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 3.4510 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 4.9610 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 5.4010 -1.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 6.7020 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 7.1000 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 8.5250 -2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 9.3940 -1.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 8.8390 -3.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 7.8920 -4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9330 8.2420 -5.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 6.5780 -4.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3990 6.1170 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 4.9220 -3.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 5.6220 -5.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 5.2880 -6.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 4.0400 -6.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.1180 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 1.6390 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 1.5950 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 1.5140 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -0.0500 2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 1.2300 3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 3.5060 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 3.2260 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 3.2160 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 2.9360 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 5.1960 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 5.4750 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 4.7560 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 7.4330 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 9.7730 -3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 4.7120 -4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 6.0600 -5.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 6.0790 -6.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 3.2490 -5.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 3.8010 -7.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 1.5410 1.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 40 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 15 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 34 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 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 M END