IBS-ZINC03985237 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.0040 1.3500 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 0.2280 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -0.5000 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -0.1070 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 1.0210 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 1.7450 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -0.8890 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 -0.8970 -1.4500 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6030 -1.4920 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -1.6600 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 -1.1660 -1.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -2.9640 -1.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 -3.9420 -1.0080 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0760 -4.0010 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6940 -3.5570 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 -3.2050 1.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 -2.7250 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 -5.3440 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 -5.3200 -0.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 0.4300 -2.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 0.5760 -3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 -0.3170 -4.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 1.8970 -4.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 2.1340 -5.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 3.3960 -5.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 4.4160 -5.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 4.1760 -3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 2.9110 -3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 2.6600 -2.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 3.3910 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 1.4480 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 1.3320 -0.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 1.9130 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -0.0820 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -1.3780 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 1.3410 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 2.6170 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 -0.5370 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 -1.9170 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 -3.4010 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4140 -4.3620 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 -2.6830 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 1.3440 -5.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 3.5840 -6.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 5.3980 -5.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 4.9800 -3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 -6.3090 -0.6860 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 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 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 20 21 1 0 0 0 0 20 31 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 28 2 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 M CHG 1 47 -1 M END