IBS-ZINC05025778 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 -0.0200 1.0100 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -0.4970 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -1.1790 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -1.2790 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -1.8910 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -2.2040 -0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -2.0710 -2.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -1.7110 -3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -1.9220 -4.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -1.0900 -3.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -0.8060 -2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -0.1940 -2.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -1.6260 1.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -1.8730 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.5070 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -2.7200 3.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -2.3060 4.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -1.6800 4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -1.4730 3.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 -1.2370 5.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 -0.7420 5.7490 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9730 1.4710 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 1.4790 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.2440 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.7260 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.8770 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 -2.5110 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.7990 -4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 -1.8420 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -2.8720 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -3.2160 3.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -2.4770 5.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -0.9790 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -1.3970 7.1150 O 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 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 2 0 0 0 0 M CHG 1 21 -1 M END