IFLAB-ZINC04248541 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.1230 1.0590 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.0770 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -0.2260 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -1.4460 1.9340 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -1.5180 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -0.6620 0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -0.7910 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -1.7480 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -2.1980 1.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 -2.3010 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 -3.7190 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 -4.2170 -0.9600 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 -3.8110 -2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1410 -3.0420 -2.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0030 -4.4290 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8570 -3.7230 -3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2930 -4.2350 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5230 -5.3360 -2.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 1.5340 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 0.5650 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 1.8490 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 0.2080 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -0.2310 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2430 -2.3020 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -1.6400 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -3.7530 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 -4.4130 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4130 -4.8750 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8720 -5.4860 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4960 -4.3880 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8820 -2.6460 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4140 -3.8450 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0880 -3.4820 -3.9560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 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 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 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 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 M CHG 1 33 -1 M END