IFLAB-ZINC05241617 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -2.4750 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -3.9550 -2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -4.6720 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -4.0200 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -5.1450 -1.2900 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -6.4970 -1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -6.1080 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -7.0510 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -7.5070 -1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -7.4120 -3.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -7.8120 -1.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -8.0890 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -7.1860 -1.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -9.4880 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3970 -9.7780 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 -11.0790 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 -12.1130 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -11.8280 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -10.5280 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -13.7850 -1.2400 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 -14.7200 -1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -16.2150 -1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -2.5110 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -1.9080 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -2.3690 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -4.3860 -2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -4.0510 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -7.0490 -4.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -8.0360 -3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -8.5320 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 -8.9770 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8600 -11.3040 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -12.6310 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -10.3070 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -14.4130 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -14.5220 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 -16.5220 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 -16.4130 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -16.7770 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -2.1020 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -2.2490 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -1.9660 -1.2650 N 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 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 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 M END