IFLAB-ZINC02458732 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 -0.0620 1.2030 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -0.2970 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -1.0230 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -2.4170 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -3.0880 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -2.3810 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -0.9860 -1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -4.8680 -0.4810 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -5.2710 -1.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -5.3180 0.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -5.2480 -0.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -5.0050 -1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -5.0180 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 -3.8260 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -3.6800 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -4.6200 3.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -5.7890 3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -5.9990 1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -6.8960 4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 -7.9930 3.7800 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3920 1.5990 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 1.5960 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 1.5700 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.5040 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -2.9640 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -2.9000 -2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -0.4380 -2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 -5.4520 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -3.9360 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -5.4830 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -3.0270 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -2.7720 2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -6.9270 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -6.6600 5.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 2 0 0 0 0 M CHG 1 20 -1 M END