IBS-ZINC04090711 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.1590 1.3130 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.0550 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -0.7320 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -0.0440 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 1.3320 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 2.0060 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -0.7740 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 -1.2170 -1.5350 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7760 -1.8990 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 -1.9650 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5770 -1.2900 -0.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 -0.0720 -2.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 0.4230 -3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -0.0750 -3.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 1.6860 -3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 1.8420 -5.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 2.8030 -6.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5840 3.6940 -5.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 2.6380 -7.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 1.3530 -8.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 1.0410 -9.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -0.0860 -9.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 2.0880 -10.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 3.3890 -9.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 3.6830 -8.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 5.0180 -8.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 6.0140 -9.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 5.6970 -10.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 4.3840 -10.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 1.8370 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.5960 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -1.7970 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 1.8860 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 3.0720 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -0.1340 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -1.6410 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 0.3090 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 2.5530 -3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9130 1.6070 -3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 1.2070 -5.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 0.5440 -7.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3120 -7.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 1.8820 -11.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 5.3310 -7.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 7.0400 -8.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 6.4710 -11.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 4.1470 -11.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 -3.1310 -0.4460 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 48 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M CHG 1 48 -1 M END