IBS-ZINC05561618 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8180 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -2.3750 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -1.5760 3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -2.1660 4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -3.5520 4.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -4.3590 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -3.7860 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -4.5350 1.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -3.9630 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -2.6400 0.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -4.8270 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -6.2160 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -7.0180 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -6.4520 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -5.0750 -2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -4.2550 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -2.9040 -1.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -4.5250 -3.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -5.4270 -4.5990 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -0.4990 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -1.5500 5.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -3.9950 5.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -5.4330 3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -6.6620 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -8.0920 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -7.0870 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -2.4970 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -4.8590 -5.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -6.0420 -5.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -6.0670 -4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END