IBS-ZINC04095003 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.5500 1.1850 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -0.2580 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -0.7990 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -2.2340 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -2.7590 0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.9330 0.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9150 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -2.3960 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -1.0880 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -0.4640 -0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -0.3980 1.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 0.0920 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 1.3520 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2070 1.9170 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1670 1.2230 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8700 -0.0350 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6050 -0.6270 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -1.9980 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 -2.6930 -0.0500 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2980 -3.3130 0.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.0610 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 0.5670 -0.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 1.7550 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 1.2440 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 1.7020 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 1.8980 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 2.8940 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1510 1.6560 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6370 -0.5680 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -2.9410 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1140 -2.3790 -1.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 2 0 0 0 0 20 30 1 0 0 0 0 21 22 3 0 0 0 0 M CHG 1 19 -1 M END