IBS-ZINC05025818 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.2260 -0.6930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -2.0420 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -2.7570 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -4.0990 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -4.2480 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -3.0280 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -2.1130 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.7030 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -5.5390 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -6.7410 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -7.9380 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 -7.9470 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -6.7580 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -5.5540 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0820 -6.7780 -0.2210 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -5.5540 -0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4340 -8.0520 -0.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6770 -6.7260 1.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9600 -5.4410 1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3820 -5.4940 2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5220 -6.6660 3.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3600 -7.8930 2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9430 -7.9630 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -0.1400 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -2.5620 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -4.8930 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -0.1840 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -6.7350 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -8.8700 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -8.8860 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -4.6250 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 -5.2770 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8860 -4.6320 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5630 -4.6090 3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1020 -5.5270 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5250 -8.7330 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0800 -7.9340 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8570 -8.8220 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -8.0570 2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 32 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 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 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 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 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 43 1 0 0 0 0 25 44 1 0 0 0 0 M END