IBS-ZINC04042899 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -0.8260 0.6640 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 1.2770 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 2.6340 -0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 0.6100 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 1.2960 -2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 0.2740 -4.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 0.5390 -5.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -0.9350 -3.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -0.8360 -2.0610 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6720 -1.4840 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -1.2250 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -0.6420 -2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -1.0250 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -1.9830 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -2.5390 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -2.1790 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 -2.3630 -1.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -2.0510 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -3.0930 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -2.2000 -4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -2.4910 -5.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -3.7040 -5.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -4.0090 -6.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -5.1940 -7.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -5.5530 -8.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -4.9370 -8.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 2.4980 -3.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -0.4280 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 0.9690 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 0.9980 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 0.1000 -3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -0.5440 -3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -3.2910 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.6590 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 -0.9820 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 -2.5900 -2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 -2.3460 -3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -2.6150 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -4.1290 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 -3.1230 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -3.0060 -3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -2.1370 -4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -1.6120 -5.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -2.6790 -4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -4.5780 -5.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -3.5070 -6.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -3.1210 -7.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -4.2150 -6.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -6.0840 -7.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -4.9770 -8.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 2.9710 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -6.4360 -9.3720 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 M CHG 1 52 -1 M END