IFLAB-ZINC04554167 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 60 0 0 1 0 0 0 0 0999 V2000 0.3650 1.7030 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 0.2510 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -0.7350 2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -2.0670 1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.4120 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -1.4260 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -0.0940 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -4.1090 0.0580 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -4.1700 -1.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -4.8400 1.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -4.5550 0.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -4.6240 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -6.0100 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -6.2860 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -6.2740 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -4.8960 1.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9170 -4.1550 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -4.9210 2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -5.0970 3.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -4.9930 4.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -5.1910 6.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -5.5440 6.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -4.9770 7.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -4.6240 7.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -5.1760 8.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -4.9660 9.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -5.2580 11.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -5.1610 12.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -4.2380 11.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 2.0690 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 2.2840 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 1.8070 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -0.4650 3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -2.8370 2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -1.6950 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 0.6770 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 -3.8600 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -4.4630 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -6.0430 -1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -6.7660 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -5.5160 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -7.2620 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -6.4940 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -7.0270 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -5.7510 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -3.9840 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -4.3210 4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -6.0770 3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -4.7800 4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -5.4580 8.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -5.6360 9.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -3.9330 9.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -6.2620 11.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -4.1560 12.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -5.3690 13.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -5.8870 11.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -4.3080 10.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -4.4460 12.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -3.2340 11.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 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 35 1 0 0 0 0 7 36 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 16 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 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 18 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M END