IBS-ZINC04906400 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 1.2020 1.2740 4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -0.1080 4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -0.8450 3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -0.2010 2.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 1.1800 1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 1.9170 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 1.8820 0.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9500 1.3530 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 3.3080 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 4.1210 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 3.2450 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 3.6390 -1.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 1.9530 -0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 0.8040 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 0.5080 0.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6320 0.2450 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -0.6330 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -0.2220 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 1.1190 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 1.6470 0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 5.3400 0.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 3.7250 1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 5.0290 1.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 2.7860 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 2.9220 3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 1.8580 4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 0.8820 3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 1.2520 1.9530 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -0.9900 0.8160 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6610 -2.1340 0.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -0.4950 -0.0850 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9780 1.8500 5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -0.6110 5.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -1.9240 3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 2.9960 3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 1.0300 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -0.0670 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.6980 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -1.5820 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -0.0840 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 -0.9680 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 1.7990 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 0.9510 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 5.2240 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 3.7810 4.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 1.8120 5.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -0.0220 3.7220 H 0 0 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 22 2 0 0 0 0 10 11 1 0 0 0 0 10 21 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 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 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END