IFLAB-ZINC04554149 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 3.0860 -7.9470 3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -7.2200 2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -7.5040 2.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -6.9670 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -6.2480 0.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -7.2570 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -7.9760 2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -6.7200 0.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -7.0040 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 -6.2780 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 -6.6520 -0.2030 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4110 -6.2570 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -8.1770 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 -8.5420 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2030 -7.9790 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0810 -6.4520 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 -6.0890 -1.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -5.0690 -2.4090 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.9010 -4.4370 -3.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 -4.3480 -1.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -6.0710 -3.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -6.6420 -4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 -7.4290 -5.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -7.6440 -5.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -7.0720 -4.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -6.2820 -3.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -8.5030 -6.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 -7.7350 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -7.6020 4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -9.0200 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -6.1470 2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 -7.5650 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -8.0790 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -6.1450 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -8.0780 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -6.6600 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 -5.2010 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -6.5700 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6010 -8.5790 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 -8.5980 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7120 -9.6260 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1270 -8.1190 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6650 -8.3830 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2550 -8.2600 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4150 -6.0540 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6930 -6.0410 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6340 -6.4740 -4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 -7.8760 -6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 -7.2410 -3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -5.8320 -2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -7.8790 -7.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -8.9920 -5.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -9.2580 -6.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END