IBS-ZINC05024768 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 0.0310 1.5220 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.0080 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -0.5150 1.2220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3200 -0.0840 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0410 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -2.5380 2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -4.0400 2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -4.6530 1.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -4.7030 3.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -6.0900 3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -6.8790 2.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -8.2470 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -8.8320 4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -8.0520 5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -6.6800 5.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -9.0880 1.5670 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5620 -8.5740 0.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -10.2930 1.6560 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2250 -0.1070 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 0.5250 0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 1.8920 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 1.8830 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 1.8810 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -0.3780 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.3670 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -2.3400 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -2.4740 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -2.2390 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -2.1040 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -4.2200 4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -6.4250 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -9.9010 4.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -8.5110 6.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -5.9120 6.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -0.4450 2.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -0.1600 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -5.5880 6.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END