IFLAB-ZINC04338655 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 1 0 0 0 0 0999 V2000 0.0050 1.5110 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.0190 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -0.5140 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -0.5440 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -2.0050 -0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -2.6910 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 -2.0980 -0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -4.1810 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -4.7740 -0.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 -4.8660 -0.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -6.3270 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 -6.8520 -0.3960 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1320 -7.9260 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 -6.1720 -1.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3740 -6.3780 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9160 -6.1130 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1120 -6.9430 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7300 -6.5870 0.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 -5.2000 -2.5570 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -3.9160 -2.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 -5.4240 -2.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6330 -5.8020 -4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7650 -5.3160 -4.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1220 -5.7860 -6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3430 -6.7480 -6.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -7.2350 -6.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 -6.7570 -4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6930 -7.2130 -7.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -8.2030 -8.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 1.8850 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.8630 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 1.8740 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -0.3820 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -0.1510 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -1.6040 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.1400 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -0.2560 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -0.1210 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -2.4790 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -4.3920 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -6.6160 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -6.7510 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8330 -5.6850 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5970 -7.4030 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8160 -5.0540 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9670 -6.4010 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4800 -6.7490 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 -8.0020 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3720 -4.5670 -4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0080 -5.4060 -6.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -7.9840 -6.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -7.1320 -4.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 -8.4870 -9.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -7.7980 -8.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 -9.0800 -7.8170 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 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 19 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 17 47 1 0 0 0 0 17 48 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END