IFLAB-ZINC02711354 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0270 1.4300 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.0010 -0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -0.6340 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 0.1050 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -0.5350 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -1.9140 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -2.6660 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -2.0170 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -4.1420 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -4.7940 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -4.7650 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -6.1360 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -6.7640 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -8.1650 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1280 -8.7460 -0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -8.8600 -0.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -9.8270 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -8.2240 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -8.8700 -0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -6.8840 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -6.4440 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 1.8090 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 1.7870 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.7840 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 1.1840 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 0.0450 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -2.4110 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -2.5930 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -4.2480 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 -6.1920 -0.1800 H 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 M END