IBS-ZINC04028307 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0420 0.8980 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 1.3700 3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 2.0920 3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 3.5830 3.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 4.4080 4.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 5.7640 4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 6.3260 3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 5.5450 2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 4.1470 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 3.2570 1.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2600 3.4150 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 3.6040 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 3.1410 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 2.0630 0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 3.9940 -0.3790 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9800 5.0320 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 3.5480 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 2.6540 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 3.1850 -2.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 3.9010 -1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 4.3550 -2.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 5.9780 1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 7.3620 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 7.6770 3.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 7.8950 5.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 6.6800 5.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -0.1530 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 1.1190 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 1.1330 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 1.6390 3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 0.2860 3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 1.7950 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 1.8040 5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 4.0000 5.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 4.6770 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 3.1170 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 3.0490 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1860 4.4220 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 1.6170 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8940 2.6670 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 7.5070 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 7.9710 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 7.6800 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 8.3750 5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 8.5690 4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 1.7390 1.7560 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9380 1.5070 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 46 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 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 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END