IFLAB-ZINC04497562 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 50 0 0 1 0 0 0 0 0999 V2000 0.0080 1.3820 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 0.0040 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -0.6740 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 0.0390 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.4200 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 2.1010 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 3.5770 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 4.2020 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 4.2320 0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 5.6970 0.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8270 6.1010 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 6.2450 -1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 7.4560 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 8.3280 -2.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 7.4260 -0.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 6.2310 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 8.4080 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 8.2280 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 9.1950 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 10.3480 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 10.5330 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 9.5640 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 11.6610 -0.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 12.4380 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 12.5930 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 11.2870 1.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -0.8510 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -2.1080 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -2.0070 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.9060 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -0.5500 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 1.9730 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 3.7340 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 6.5360 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 5.5030 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 5.4840 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 6.4960 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 7.3300 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 9.0530 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 9.7060 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 13.4200 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 11.9270 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 13.0980 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 13.1730 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -2.2260 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 -2.9360 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END