IFLAB-ZINC05146776 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 0.8260 -2.9160 -1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -1.5830 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 0.7560 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 0.5420 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.0420 -2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 0.5520 -2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 1.1820 -3.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 2.3920 -4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 2.9460 -3.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 2.9470 -5.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 4.4420 -5.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 5.2230 -6.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 6.9570 -6.0770 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 6.5680 -4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 5.2210 -4.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 5.0140 -3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 6.2920 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 7.2650 -3.9630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 6.6240 -2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 7.9270 -1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6590 8.2750 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5320 7.3320 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5290 6.0340 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 5.6830 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 7.8020 0.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2320 6.8780 1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -3.0950 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.9710 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -3.7300 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -1.5870 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -1.3730 -2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 1.6360 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 0.9010 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 0.3820 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -0.3160 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 1.4260 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.9330 -3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 0.6500 -3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -0.2380 -2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 1.3040 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 0.7310 -4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 2.5410 -6.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 2.5890 -5.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 4.8730 -7.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 4.0260 -3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 8.6880 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 9.2920 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1970 5.2690 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 4.6640 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9610 6.5140 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6950 6.0480 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7830 7.4070 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -0.4520 -1.2820 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2840 -0.8010 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 53 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 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 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END