IFLAB-ZINC04138064 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 1.0800 1.1430 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -0.3570 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.1750 1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -2.5400 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -3.7980 1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -4.9140 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -4.8080 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -3.5780 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -2.4280 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -1.0880 -0.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -0.7170 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -6.2720 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -6.5960 1.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -7.7690 2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -8.5570 2.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -8.0960 2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -7.1420 2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 -7.4530 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 -8.7080 2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 -9.6580 3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -9.3620 2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 -10.4000 3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 -10.9980 3.4750 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1820 -11.3060 3.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -11.7920 3.8780 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1310 1.4190 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 1.5880 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 1.5070 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -0.8810 2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -3.8880 2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -5.7000 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -3.5060 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -7.0220 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -6.2620 2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -5.9660 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -6.1620 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 -6.7160 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5830 -8.9470 2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -10.3280 4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -11.3930 3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -10.2290 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END