IBS-ZINC05111339 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.8580 2.7220 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 1.4220 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 0.2880 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.0640 -1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -1.1780 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -1.5970 -0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -1.7410 -2.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -1.3770 -3.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -2.1470 -4.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -0.1780 -3.8030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 0.6100 -2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 1.8100 -2.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 0.3020 -4.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 0.0210 -6.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 0.4840 -7.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 1.2370 -7.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.5320 -6.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 1.0680 -4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 1.8050 -8.7150 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -0.3410 1.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.3720 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.4700 2.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -0.4740 4.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -0.3860 5.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -0.3010 4.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -0.2950 3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 -0.2190 5.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 -0.2350 5.3850 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1120 3.5170 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 3.0450 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 2.6150 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 1.5940 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 1.1670 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -2.5440 -2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -0.5340 -6.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 0.2540 -8.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 2.1180 -5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 1.3030 -3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -0.9060 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -0.5870 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -0.5560 4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -0.3920 6.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 -0.2170 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -0.1440 6.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 20 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 34 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 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 2 0 0 0 0 M CHG 1 28 -1 M END