CHEMBRIDGE-ZINC04700854 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 0.1230 1.1380 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -0.1420 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 0.1680 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -0.6810 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -0.0980 -1.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -1.8100 0.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -2.2490 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -3.6120 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -4.0500 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5870 -3.1230 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3060 -1.7550 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -1.3240 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 -3.5890 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2290 -4.7800 0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9920 -2.6940 0.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3090 -3.1300 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5570 -4.3100 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8560 -4.7390 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9120 -3.9930 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6660 -2.8160 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3670 -2.3820 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1040 -1.1220 -0.5760 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.0320 -0.4100 -0.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9600 -0.7960 -0.8360 O 0 5 0 0 0 0 0 0 0 0 0 0 -13.1910 -4.4170 1.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3720 -5.6390 1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 1.5280 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 0.9170 -2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.8810 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -0.8850 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -0.7430 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 0.5580 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.9120 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -2.3160 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -4.3280 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -5.1080 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -1.0360 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -0.2670 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8040 -1.7470 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7340 -4.8910 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0480 -5.6570 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4890 -2.2360 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4360 -5.8610 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8690 -6.4490 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9500 -5.5380 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 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 34 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END