NCID-ZINC04962383 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.0360 1.0290 0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.2980 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -0.7710 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 0.0810 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 1.4140 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 1.8840 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -0.4680 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -1.4310 -1.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 0.2180 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 -0.9850 -0.4160 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6810 0.1820 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0290 -0.5470 -0.2960 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0880 -1.1120 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1370 0.5140 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5280 1.0430 -1.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5780 0.8800 0.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5810 1.9160 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7580 2.1980 2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0460 1.4560 3.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 -1.4490 -1.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8700 -2.6750 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2570 -3.1130 -0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 -3.4250 -2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6880 -4.7890 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8990 -5.5300 -3.6800 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9780 -5.6110 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5080 -6.9450 -3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5810 -7.0000 -4.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.3980 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -0.9630 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -1.8080 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 2.1130 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 2.9200 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 0.9860 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 0.6710 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 0.7870 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5620 0.8550 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2360 0.4590 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5290 1.5740 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2670 2.8270 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9930 -1.1340 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 -3.5530 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6170 -2.7970 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6480 -4.6690 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0620 -5.3970 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5680 3.1190 2.9760 O 0 5 0 0 0 0 0 0 0 0 0 0 10.9210 -7.7700 -2.7600 O 0 5 0 0 0 0 0 0 0 0 0 0 11.8920 -4.7760 -4.5470 N 0 3 0 0 0 0 0 0 0 0 0 0 12.5670 -5.5900 -4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4500 -4.0650 -4.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5270 -4.4650 -5.4500 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 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 32 1 0 0 0 0 6 33 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 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 20 21 1 0 0 0 0 20 41 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 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 M CHG 1 46 -1 M CHG 1 47 -1 M CHG 1 48 1 M END