IBS-ZINC04935393 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.1510 1.1090 -3.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.3120 -3.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -0.5960 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -1.9180 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -2.9810 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -2.7050 -3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -1.3680 -3.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -3.7840 -4.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -4.3360 -1.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -4.8510 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -4.2590 -1.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -6.2040 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -6.7750 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -6.2040 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 -6.7960 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 -6.3080 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1640 -5.2250 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -4.6400 1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 -5.1270 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5300 -4.7020 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5390 -5.3020 0.8490 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0440 -7.0220 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -8.2030 -0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -6.3550 -1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -5.0480 -1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -4.6000 -1.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -2.1410 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 1.4940 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 1.1830 -4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 1.7460 -2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 0.2250 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -1.1490 -4.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -4.6700 -4.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -3.4420 -5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -4.0660 -4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -7.7890 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -7.6420 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9140 -6.7780 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 -3.7980 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -4.6590 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -6.8860 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -2.3430 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -2.9700 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -1.2570 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5700 -3.7020 2.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 45 2 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 21 -1 M END