IBS-ZINC04736796 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 0.0300 1.5790 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 0.0720 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -0.5310 -1.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -1.8950 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -2.7530 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -4.1440 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -4.7170 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -3.8610 -2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -2.4770 -2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -1.6190 -3.3880 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1320 -1.3420 -4.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -1.2330 -3.2250 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 -6.1690 -1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -7.2340 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -8.4130 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -8.0020 -2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -6.6390 -2.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -8.8880 -3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -10.1410 -3.4820 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0700 1.9130 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 1.8780 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 2.0930 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.2010 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -0.2360 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -2.3830 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -4.7750 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -4.2680 -3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -7.1790 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -9.4380 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -8.3530 -4.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 30 2 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M CHG 1 19 -1 M END