IBS-ZINC01730677 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.6160 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6720 -1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1360 -1.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5560 -2.5120 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -2.6480 -2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -2.2680 -2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -1.0640 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -0.7140 -3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 -1.5720 -2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -2.7810 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -3.1280 -2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 -3.6980 -1.5090 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0270 -4.7590 -1.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 -3.3930 -1.5480 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1760 0.5760 -3.7430 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3330 1.3290 -4.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 0.8840 -3.7840 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4430 -2.6200 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -1.8230 -0.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.1820 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -2.2010 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -3.7330 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -0.3960 -3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -4.0700 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0430 -1.2300 -2.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -3.9360 -1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -4.1980 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 -1.5220 -3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 17 1 M CHG 1 19 -1 M END