IFLAB-ZINC02458696 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 26 0 0 0 0 0 0 0 0999 V2000 5.0550 -5.5500 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -4.3590 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -4.3450 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -5.7660 -0.8530 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -6.4020 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -3.1400 -0.1010 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -3.8320 0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -1.9860 0.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -2.7090 -1.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -2.1810 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -2.8790 -3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -2.3800 -4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 -1.1790 -3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -0.4680 -2.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -0.9870 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 -3.1010 -5.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -4.2000 -5.6940 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9970 -5.7690 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -3.5460 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 -7.3660 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -3.4360 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -3.8180 -3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -0.7370 -4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -0.3860 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 -2.5550 -5.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 M CHG 1 17 -1 M END