IFLAB-ZINC04071639 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 -0.0500 1.2840 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.1270 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.5930 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 0.1870 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -0.4270 -3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -1.8200 -3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -2.6070 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -1.9860 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -3.9740 -2.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -4.6640 -3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -6.1740 -3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -6.7010 -2.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -6.8800 -4.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -8.3380 -4.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 -8.8290 -5.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 -7.8940 -6.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 1.7330 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 1.7350 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 1.4880 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 1.2710 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 0.1860 -4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -2.2530 -4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -2.5990 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -4.4170 -4.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -4.4150 -3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -6.4330 -4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -8.7070 -3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -8.7100 -4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -10.0810 -5.6690 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 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 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 M CHG 1 29 -1 M END