NCID-ZINC04776056 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 1 0 0 0 0 0999 V2000 2.0590 0.0680 -2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -0.9370 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -0.6180 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 0.7380 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 1.7660 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 1.4120 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 2.4540 -2.8330 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9720 2.1740 -4.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 3.5440 -2.4500 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5120 1.1260 1.8230 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5190 1.1040 2.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 1.4800 2.1630 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4410 -1.9580 1.2430 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -2.0790 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -2.7340 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7950 -2.0860 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -2.8840 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -2.5180 1.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -3.3960 -1.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 -3.8190 -1.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1170 -3.2520 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -5.3360 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -5.7640 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 -7.2440 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1250 -8.0550 0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -3.5850 -2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -3.3970 -3.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -4.0550 -0.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -5.1120 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -5.0280 1.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -6.4490 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -0.2180 -3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -1.9760 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 2.8080 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -2.6340 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -1.0750 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -3.4880 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 -5.6870 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 -5.8520 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 -5.2120 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4970 -5.5820 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -4.1770 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -6.5250 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -6.5910 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -7.4840 0.3470 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9660 -3.5980 -3.1830 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6770 -7.5510 0.6620 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7560 -7.5260 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -7.4060 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -8.4990 0.4050 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 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 31 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M CHG 1 45 -1 M CHG 1 46 -1 M CHG 1 47 1 M END