IBS-ZINC02139781 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 31 0 0 1 0 0 0 0 0999 V2000 0.1440 1.6490 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 0.1260 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.3620 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -1.8750 0.1950 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8160 -2.2250 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -2.7300 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -2.2070 2.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -2.2980 -0.4030 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -1.5000 0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 2.1760 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 3.6770 0.3110 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4080 3.9620 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 4.2310 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 5.2550 -0.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 2.1140 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 1.9290 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -0.1630 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.3500 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.0530 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 0.1450 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 1.6530 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 1.9250 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -3.9210 1.2960 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0280 -2.1360 -1.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 -3.8980 -0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 3.6460 0.5140 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7470 4.4390 -0.6050 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0390 4.8820 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 3.9070 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 5.1890 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 -4.1880 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -2.3400 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 24 32 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 26 -1 M CHG 1 27 1 M END